7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one

C26H28O6 — CID 10646583

IUPAC7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
SMILESCOc1c2c(c(CC=C(C)C)c3c1C(=O)C(O)C(c1ccc(O)cc1)O3)OC(C)(C)C=C2
InChIInChI=1S/C26H28O6/c1-14(2)6-11-17-23-18(12-13-26(3,4)32-23)24(30-5)19-20(28)21(29)22(31-25(17)19)15-7-9-16(27)10-8-15/h6-10,12-13,21-22,27,29H,11H2,1-5H3
InChIKeyJTKUYJUDAWUVIH-UHFFFAOYSA-N
MW436.50 g/mol
LogP4.77
Rot. Bonds4

About 7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one

7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one (PubChem CID 10646583) has the molecular formula C26H28O6 and a molecular weight of 436.50 g/mol. Its IUPAC name is 7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one.

Molecular Properties

Compound Name7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
PubChem CID10646583
Molecular FormulaC26H28O6
Molecular Weight436.50 g/mol
Exact Mass436.19
IUPAC Name7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
SMILESCOc1c2c(c(CC=C(C)C)c3c1C(=O)C(O)C(c1ccc(O)cc1)O3)OC(C)(C)C=C2
InChIInChI=1S/C26H28O6/c1-14(2)6-11-17-23-18(12-13-26(3,4)32-23)24(30-5)19-20(28)21(29)22(31-25(17)19)15-7-9-16(27)10-8-15/h6-10,12-13,21-22,27,29H,11H2,1-5H3
InChIKeyJTKUYJUDAWUVIH-UHFFFAOYSA-N
XLogP4.77
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(7R,8R)-7-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 162821291
(8S)-8-(2,6-dihydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163005115
(7S)-5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163052383
(8S)-8-(2,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 10322205
(2S,3R)-3,5,7-trihydroxy-8-methoxy-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 163015493
8-(3,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 12049756
(3S,11R)-3,7,21-trihydroxy-17,17-dimethyl-14-(3-methylbut-2-enyl)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-2-one
CID 51542656
3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-6,8-dimethyl-2,3-dihydrochromen-4-one
CID 162866969
8-(3,5-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 162912592
(7R)-5-hydroxy-7-(4-hydroxy-2-methoxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 162938998
(7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163070313
(8R)-5-hydroxy-8-[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163103639

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one?
The IUPAC name of 7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one (CID 10646583) is 7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one.
What is the SMILES notation for 7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one?
The canonical SMILES for 7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one is COc1c2c(c(CC=C(C)C)c3c1C(=O)C(O)C(c1ccc(O)cc1)O3)OC(C)(C)C=C2.
What is the InChIKey of 7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one?
The InChIKey is JTKUYJUDAWUVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O6/c1-14(2)6-11-17-23-18(12-13-26(3,4)32-23)24(30-5)19-20(28)21(29)22(31-25(17)19)15-7-9-16(27)10-8-15/h6-10,12-13,21-22,27,29H,11H2,1-5H3.
What are the key properties of 7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one?
7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one has a molecular weight of 436.50 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one is sourced from PubChem (CID 10646583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).