(2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one

C26H30O7 — CID 162914710

IUPAC(2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one
SMILESC=C(C)[C@H](O)Cc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(C=CC(C)(C)O)c1OC
InChIInChI=1S/C26H30O7/c1-14(2)19(28)10-17-9-16(8-15(25(17)32-5)6-7-26(3,4)31)22-13-21(30)24-20(29)11-18(27)12-23(24)33-22/h6-9,11-12,19,22,27-29,31H,1,10,13H2,2-5H3/t19-,22-/m1/s1
InChIKeyKGSCGYHOBURWSD-DENIHFKCSA-N
MW454.52 g/mol
LogP4.08
Rot. Bonds7

About (2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one

(2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one (PubChem CID 162914710) has the molecular formula C26H30O7 and a molecular weight of 454.52 g/mol. Its IUPAC name is (2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one
PubChem CID162914710
Molecular FormulaC26H30O7
Molecular Weight454.52 g/mol
Exact Mass454.20
IUPAC Name(2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one
SMILESC=C(C)[C@H](O)Cc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(C=CC(C)(C)O)c1OC
InChIInChI=1S/C26H30O7/c1-14(2)19(28)10-17-9-16(8-15(25(17)32-5)6-7-26(3,4)31)22-13-21(30)24-20(29)11-18(27)12-23(24)33-22/h6-9,11-12,19,22,27-29,31H,1,10,13H2,2-5H3/t19-,22-/m1/s1
InChIKeyKGSCGYHOBURWSD-DENIHFKCSA-N
XLogP4.08
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[3,4-dimethoxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 162789454
(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163062623
2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788462
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788463
2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 11483087
potassium 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 46841773
(2R)-5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
CID 26250142
potassium;(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;hydride
CID 173056573
5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde
CID 102127187
7-hydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
CID 74336650
(2S)-5,7-dihydroxy-2-[4-hydroxy-3-[(2R)-2-hydroxy-3-methylbut-3-enyl]phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 163072071
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932

Frequently Asked Questions

What is the IUPAC name of (2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one (CID 162914710) is (2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one is C=C(C)[C@H](O)Cc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(C=CC(C)(C)O)c1OC.
What is the InChIKey of (2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one?
The InChIKey is KGSCGYHOBURWSD-DENIHFKCSA-N. The full InChI is InChI=1S/C26H30O7/c1-14(2)19(28)10-17-9-16(8-15(25(17)32-5)6-7-26(3,4)31)22-13-21(30)24-20(29)11-18(27)12-23(24)33-22/h6-9,11-12,19,22,27-29,31H,1,10,13H2,2-5H3/t19-,22-/m1/s1.
What are the key properties of (2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one?
(2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one has a molecular weight of 454.52 g/mol, XLogP of 4.08, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,7-dihydroxy-2-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5-(3-hydroxy-3-methylbut-1-enyl)-4-methoxyphenyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 162914710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).