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

C23H24O8 — CID 10410309

IUPAC3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one
SMILESC=C(C)C(O)Cc1cc(-c2oc3cc(O)c(OC)c(OC)c3c(=O)c2O)ccc1OC
InChIInChI=1S/C23H24O8/c1-11(2)14(24)9-13-8-12(6-7-16(13)28-3)21-20(27)19(26)18-17(31-21)10-15(25)22(29-4)23(18)30-5/h6-8,10,14,24-25,27H,1,9H2,2-5H3
InChIKeyVSIPYJYMDXQPCZ-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.38
Rot. Bonds7

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

3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one (PubChem CID 10410309) has the molecular formula C23H24O8 and a molecular weight of 428.44 g/mol. Its IUPAC name is 3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one.

Molecular Properties

Compound Name3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one
PubChem CID10410309
Molecular FormulaC23H24O8
Molecular Weight428.44 g/mol
Exact Mass428.15
IUPAC Name3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one
SMILESC=C(C)C(O)Cc1cc(-c2oc3cc(O)c(OC)c(OC)c3c(=O)c2O)ccc1OC
InChIInChI=1S/C23H24O8/c1-11(2)14(24)9-13-8-12(6-7-16(13)28-3)21-20(27)19(26)18-17(31-21)10-15(25)22(29-4)23(18)30-5/h6-8,10,14,24-25,27H,1,9H2,2-5H3
InChIKeyVSIPYJYMDXQPCZ-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

3,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxychromen-4-one
CID 10573935
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 5317287
5,7-dihydroxy-2-[3-(4-hydroxy-3-methylbut-2-enyl)-4-methoxyphenyl]-3,6-dimethoxychromen-4-one
CID 162906111
7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one
CID 5316815
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
CID 58667503
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one
CID 167110086
[2-hydroxy-5-(3,5,7-trihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] hydrogen sulfate
CID 131835076
2-[4-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxyphenyl]-3,5,7-trihydroxy-6-methoxychromen-4-one
CID 46700870
2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one
CID 1413436
3,5,7,8-tetrahydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 90744052
3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 12532439
2-(2,4-dihydroxyphenyl)-4-hydroxy-5-(2-hydroxy-3-methylbut-3-enyl)-6-methoxy-1-benzofuran-3-carbaldehyde
CID 25157570

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one?
The IUPAC name of 3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one (CID 10410309) is 3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one.
What is the SMILES notation for 3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one?
The canonical SMILES for 3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one is C=C(C)C(O)Cc1cc(-c2oc3cc(O)c(OC)c(OC)c3c(=O)c2O)ccc1OC.
What is the InChIKey of 3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one?
The InChIKey is VSIPYJYMDXQPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O8/c1-11(2)14(24)9-13-8-12(6-7-16(13)28-3)21-20(27)19(26)18-17(31-21)10-15(25)22(29-4)23(18)30-5/h6-8,10,14,24-25,27H,1,9H2,2-5H3.
What are the key properties of 3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one?
3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-5,6-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 3,7-dihydroxy-2-[3-(2-hydroxy-3-methylbut-3-enyl)-4-methoxyphenyl]-5,6-dimethoxychromen-4-one is sourced from PubChem (CID 10410309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).