5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one

C25H24O6 — CID 163030608

IUPAC5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
SMILESC=C(C)[C@H](O)Cc1c2c(c3oc(-c4ccc(O)cc4)cc(=O)c3c1O)C=CC(C)(C)O2
InChIInChI=1S/C25H24O6/c1-13(2)18(27)11-17-22(29)21-19(28)12-20(14-5-7-15(26)8-6-14)30-24(21)16-9-10-25(3,4)31-23(16)17/h5-10,12,18,26-27,29H,1,11H2,2-4H3/t18-/m1/s1
InChIKeyYDROLGFAZXVIJD-GOSISDBHSA-N
MW420.46 g/mol
LogP4.53
Rot. Bonds4

About 5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one

5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one (PubChem CID 163030608) has the molecular formula C25H24O6 and a molecular weight of 420.46 g/mol. Its IUPAC name is 5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
PubChem CID163030608
Molecular FormulaC25H24O6
Molecular Weight420.46 g/mol
Exact Mass420.16
IUPAC Name5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
SMILESC=C(C)[C@H](O)Cc1c2c(c3oc(-c4ccc(O)cc4)cc(=O)c3c1O)C=CC(C)(C)O2
InChIInChI=1S/C25H24O6/c1-13(2)18(27)11-17-22(29)21-19(28)12-20(14-5-7-15(26)8-6-14)30-24(21)16-9-10-25(3,4)31-23(16)17/h5-10,12,18,26-27,29H,1,11H2,2-4H3/t18-/m1/s1
InChIKeyYDROLGFAZXVIJD-GOSISDBHSA-N
XLogP4.53
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
CID 15677604
6-(2-hydroxy-3-methylbut-3-enyl)-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
CID 46854087
5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one
CID 162915472
2-[3,4-dihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 131676093
5,9-dihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one
CID 163084181
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-propan-2-ylchromen-4-one
CID 162943028
[(7R,8R)-5-hydroxy-10-[(2S)-2-hydroxy-3-methylbut-3-enyl]-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-7-yl] (2R)-2-methoxy-2-phenylacetate
CID 54763578
6-[2-(dimethylamino)ethyl]-5-hydroxy-8,8-dimethyl-3-(4-methylphenyl)pyrano[2,3-h]chromen-4-one
CID 164969075
8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5-hydroxy-7-(2-hydroxy-3-methylbut-3-enoxy)-2-phenylchromen-4-one
CID 71605238
5-hydroxy-8-[(2S)-2-hydroxy-3-methylbut-3-enyl]-7-methoxy-2-methylchromen-4-one
CID 163020135
10,15,22-trihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),5,10,15,19,21-octaen-2-one
CID 101266861
10,22-dihydroxy-7,7,18,18-tetramethyl-15-(3-methylbut-2-enyl)-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),5,10,15,19,21-octaen-2-one
CID 162891523

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one?
The IUPAC name of 5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one (CID 163030608) is 5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one.
What is the SMILES notation for 5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one?
The canonical SMILES for 5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one is C=C(C)[C@H](O)Cc1c2c(c3oc(-c4ccc(O)cc4)cc(=O)c3c1O)C=CC(C)(C)O2.
What is the InChIKey of 5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one?
The InChIKey is YDROLGFAZXVIJD-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24O6/c1-13(2)18(27)11-17-22(29)21-19(28)12-20(14-5-7-15(26)8-6-14)30-24(21)16-9-10-25(3,4)31-23(16)17/h5-10,12,18,26-27,29H,1,11H2,2-4H3/t18-/m1/s1.
What are the key properties of 5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one?
5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one has a molecular weight of 420.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one is sourced from PubChem (CID 163030608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).