4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one

C31H24O10 — CID 135849817

IUPAC4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one
SMILESCOc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c4cc(=O)cc(OC)c4c(O)c4c(O)cc(C)oc34)c2c1
InChIInChI=1S/C31H24O10/c1-12-6-18(33)26-28(35)22-16(8-14(32)9-20(22)38-4)24(30(26)40-12)25-17-10-15(37-3)11-21(39-5)23(17)29(36)27-19(34)7-13(2)41-31(25)27/h6-11,33,35-36H,1-5H3
InChIKeyOYYJLLGUBCSGDS-UHFFFAOYSA-N
MW556.52 g/mol
LogP5.63
Rot. Bonds4

About 4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one

4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one (PubChem CID 135849817) has the molecular formula C31H24O10 and a molecular weight of 556.52 g/mol. Its IUPAC name is 4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one.

Molecular Properties

Compound Name4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one
PubChem CID135849817
Molecular FormulaC31H24O10
Molecular Weight556.52 g/mol
Exact Mass556.14
IUPAC Name4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one
SMILESCOc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c4cc(=O)cc(OC)c4c(O)c4c(O)cc(C)oc34)c2c1
InChIInChI=1S/C31H24O10/c1-12-6-18(33)26-28(35)22-16(8-14(32)9-20(22)38-4)24(30(26)40-12)25-17-10-15(37-3)11-21(39-5)23(17)29(36)27-19(34)7-13(2)41-31(25)27/h6-11,33,35-36H,1-5H3
InChIKeyOYYJLLGUBCSGDS-UHFFFAOYSA-N
XLogP5.63
TPSA148.80 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.52
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-6-(5-hydroxy-2,8,10-trimethoxy-4-oxobenzo[h]chromen-9-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one
CID 163106337
5,8-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 75361247
5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
CID 14482774
5-hydroxy-8-[(2S)-2-hydroxy-3-methylbut-3-enyl]-7-methoxy-2-methylchromen-4-one
CID 163020135
5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 52918156
ethane;4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
CID 143290576
1,2-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 174874311
4,9-dihydroxy-7-methylfuro[3,2-g]chromen-5-one;ethane
CID 143290579
5-hydroxy-11-methoxy-2-methyl-8,9-dihydroindeno[5,6-h]chromene-4,10-dione
CID 71438742
5,7-dihydroxy-6-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-methoxyphenyl)chromen-4-one
CID 162880668
6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one
CID 102460794
1,6-dihydroxy-3,5,7-trimethoxyxanthen-9-one
CID 5316837

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one?
The IUPAC name of 4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one (CID 135849817) is 4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one.
What is the SMILES notation for 4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one?
The canonical SMILES for 4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one is COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c4cc(=O)cc(OC)c4c(O)c4c(O)cc(C)oc34)c2c1.
What is the InChIKey of 4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one?
The InChIKey is OYYJLLGUBCSGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O10/c1-12-6-18(33)26-28(35)22-16(8-14(32)9-20(22)38-4)24(30(26)40-12)25-17-10-15(37-3)11-21(39-5)23(17)29(36)27-19(34)7-13(2)41-31(25)27/h6-11,33,35-36H,1-5H3.
What are the key properties of 4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one?
4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one has a molecular weight of 556.52 g/mol, XLogP of 5.63, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-6-methoxy-2-methylbenzo[g]chromen-8-one is sourced from PubChem (CID 135849817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).