4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol

C57H62O18 — CID 162926484

IUPAC4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
SMILESCOc1ccc(C2Oc3c(c(OC)cc(OC)c3C3c4ccc(O)c(C5c6ccc(O)cc6OC(c6cc(OC)c(OC)c(OC)c6)C5O)c4OC(c4cc(OC)c(OC)c(OC)c4)C3OC)CC2OC)cc1OC
InChIInChI=1S/C57H62O18/c1-61-35-18-13-27(19-38(35)63-3)50-44(69-9)25-33-36(62-2)26-39(64-4)48(54(33)74-50)46-32-16-17-34(59)47(53(32)75-52(57(46)72-12)29-22-42(67-7)56(71-11)43(23-29)68-8)45-31-15-14-30(58)24-37(31)73-51(49(45)60)28-20-40(65-5)55(70-10)41(21-28)66-6/h13-24,26,44-46,49-52,57-60H,25H2,1-12H3
InChIKeyRIWPNHYSKKRRML-UHFFFAOYSA-N
MW1035.10 g/mol
LogP8.78
Rot. Bonds17

About 4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol

4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol (PubChem CID 162926484) has the molecular formula C57H62O18 and a molecular weight of 1035.10 g/mol. Its IUPAC name is 4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol.

Molecular Properties

Compound Name4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
PubChem CID162926484
Molecular FormulaC57H62O18
Molecular Weight1035.10 g/mol
Exact Mass1034.39
IUPAC Name4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
SMILESCOc1ccc(C2Oc3c(c(OC)cc(OC)c3C3c4ccc(O)c(C5c6ccc(O)cc6OC(c6cc(OC)c(OC)c(OC)c6)C5O)c4OC(c4cc(OC)c(OC)c(OC)c4)C3OC)CC2OC)cc1OC
InChIInChI=1S/C57H62O18/c1-61-35-18-13-27(19-38(35)63-3)50-44(69-9)25-33-36(62-2)26-39(64-4)48(54(33)74-50)46-32-16-17-34(59)47(53(32)75-52(57(46)72-12)29-22-42(67-7)56(71-11)43(23-29)68-8)45-31-15-14-30(58)24-37(31)73-51(49(45)60)28-20-40(65-5)55(70-10)41(21-28)66-6/h13-24,26,44-46,49-52,57-60H,25H2,1-12H3
InChIKeyRIWPNHYSKKRRML-UHFFFAOYSA-N
XLogP8.78
TPSA199.14 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001035.10
LogP ≤ 58.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol with MolForge

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Related Compounds

CID 21019000
CID 21019000
5-[4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3-formyl-4-methoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxybenzaldehyde
CID 22971910
(2R,3S,8R,9S,10S)-10-(2,4-dimethoxyphenyl)-2,8-bis(3,4-dimethoxyphenyl)-6-[(2R,3S,4S)-2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromene-3,9-diol
CID 162904106
10-(2,4-dihydroxyphenyl)-8-(3,4-dihydroxyphenyl)-2-(3-hydroxy-4-methoxyphenyl)-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromene-3,5,9-triol
CID 3485811
(2R,3S,4R)-4-(2,4-dihydroxy-3-methoxyphenyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 14463100
2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol
CID 162948976
(2S,3S)-8-[(2R,3S,4S)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol
CID 163184600
[(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3-hydroxy-4,5-dimethoxybenzoate
CID 163183949
2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol
CID 54571165
ethane;(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol
CID 91371558
[5,7-diacetyloxy-2-(3,4-diacetyloxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromen-3-yl] acetate
CID 21018988
(1R,5R,6R,13S,21R)-5,13-bis(3,4-dimethoxyphenyl)-6,9,17,19-tetramethoxy-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,8,10,15(20),16,18-hexaen-21-ol
CID 23252145

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol?
The IUPAC name of 4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol (CID 162926484) is 4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol.
What is the SMILES notation for 4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol?
The canonical SMILES for 4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol is COc1ccc(C2Oc3c(c(OC)cc(OC)c3C3c4ccc(O)c(C5c6ccc(O)cc6OC(c6cc(OC)c(OC)c(OC)c6)C5O)c4OC(c4cc(OC)c(OC)c(OC)c4)C3OC)CC2OC)cc1OC.
What is the InChIKey of 4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol?
The InChIKey is RIWPNHYSKKRRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H62O18/c1-61-35-18-13-27(19-38(35)63-3)50-44(69-9)25-33-36(62-2)26-39(64-4)48(54(33)74-50)46-32-16-17-34(59)47(53(32)75-52(57(46)72-12)29-22-42(67-7)56(71-11)43(23-29)68-8)45-31-15-14-30(58)24-37(31)73-51(49(45)60)28-20-40(65-5)55(70-10)41(21-28)66-6/h13-24,26,44-46,49-52,57-60H,25H2,1-12H3.
What are the key properties of 4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol?
4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol has a molecular weight of 1035.10 g/mol, XLogP of 8.78, 17 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-3,4-dihydro-2H-chromen-8-yl]-7-hydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol is sourced from PubChem (CID 162926484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).