5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one

C23H24O8 — CID 162906111

IUPAC5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one
SMILESCOc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1CC=C(C)CO
InChIInChI=1S/C23H24O8/c1-12(11-24)5-6-13-9-14(7-8-16(13)28-2)21-23(30-4)20(27)18-17(31-21)10-15(25)22(29-3)19(18)26/h5,7-10,24-26H,6,11H2,1-4H3
InChIKeyARDCIQJWEMRJPN-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.38
Rot. Bonds7

About 5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one

5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one (PubChem CID 162906111) has the molecular formula C23H24O8 and a molecular weight of 428.44 g/mol. Its IUPAC name is 5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one
PubChem CID162906111
Molecular FormulaC23H24O8
Molecular Weight428.44 g/mol
Exact Mass428.15
IUPAC Name5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one
SMILESCOc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1CC=C(C)CO
InChIInChI=1S/C23H24O8/c1-12(11-24)5-6-13-9-14(7-8-16(13)28-2)21-23(30-4)20(27)18-17(31-21)10-15(25)22(29-3)19(18)26/h5,7-10,24-26H,6,11H2,1-4H3
InChIKeyARDCIQJWEMRJPN-UHFFFAOYSA-N
XLogP3.38
TPSA118.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
CID 58667503
4-(5,7-dihydroxy-3,6-dimethoxy-4-oxochromen-2-yl)-2-hydroxybenzaldehyde
CID 142903601
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225
[4-(5-hydroxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] acetate
CID 124519226
5,6,7-trihydroxy-2-(4-hydroxy-3-methylphenyl)-3-methoxychromen-4-one
CID 163023602
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-3-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 163106354
1-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-3,6,8-trihydroxy-7-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-methoxyxanthen-9-one
CID 171357695
2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-3-methoxychromen-4-one
CID 5315127
3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one
CID 10410309
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one;5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxychromen-4-one;5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one;2-(3,4-dihydroxyphenyl)-6-hydroperoxy-5,7-dihydroxy-3-methoxychromen-4-one
CID 161246973
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 5317287
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
CID 5380905

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one (CID 162906111) is 5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one is COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1CC=C(C)CO.
What is the InChIKey of 5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one?
The InChIKey is ARDCIQJWEMRJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O8/c1-12(11-24)5-6-13-9-14(7-8-16(13)28-2)21-23(30-4)20(27)18-17(31-21)10-15(25)22(29-3)19(18)26/h5,7-10,24-26H,6,11H2,1-4H3.
What are the key properties of 5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one?
5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one has a molecular weight of 428.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one is sourced from PubChem (CID 162906111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).