(2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one

C30H22O14 — CID 175835485

IUPAC(2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one
SMILESO=C1c2c(O)cc(O)cc2O[C@@](c2ccc(O)c(O)c2)([C@]2(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@H]1O
InChIInChI=1S/C30H22O14/c31-13-7-19(37)23-21(9-13)43-29(27(41)25(23)39,11-1-3-15(33)17(35)5-11)30(12-2-4-16(34)18(36)6-12)28(42)26(40)24-20(38)8-14(32)10-22(24)44-30/h1-10,27-28,31-38,41-42H/t27-,28-,29+,30+/m0/s1
InChIKeyBDPQTPCTRGIVGG-VZNYXHRGSA-N
MW606.49 g/mol
LogP1.69
Rot. Bonds3

About (2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one

(2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one (PubChem CID 175835485) has the molecular formula C30H22O14 and a molecular weight of 606.49 g/mol. Its IUPAC name is (2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one.

Molecular Properties

Compound Name(2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one
PubChem CID175835485
Molecular FormulaC30H22O14
Molecular Weight606.49 g/mol
Exact Mass606.10
IUPAC Name(2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one
SMILESO=C1c2c(O)cc(O)cc2O[C@@](c2ccc(O)c(O)c2)([C@]2(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@H]1O
InChIInChI=1S/C30H22O14/c31-13-7-19(37)23-21(9-13)43-29(27(41)25(23)39,11-1-3-15(33)17(35)5-11)30(12-2-4-16(34)18(36)6-12)28(42)26(40)24-20(38)8-14(32)10-22(24)44-30/h1-10,27-28,31-38,41-42H/t27-,28-,29+,30+/m0/s1
InChIKeyBDPQTPCTRGIVGG-VZNYXHRGSA-N
XLogP1.69
TPSA254.90 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500606.49
LogP ≤ 51.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze (2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-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

2-[(3,4-dihydroxyphenyl)methyl]-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
CID 67149819
(2S)-2-(3,4-dihydroxybenzoyl)-2,4,6-trihydroxy-1-benzofuran-3-one
CID 162907894
(5S,6R)-5-(3,4-dihydroxyphenyl)-6,9,17,19-tetrahydroxy-13-(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-one
CID 23872054
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydrochromene-2-carbaldehyde
CID 91468798
(3R)-3-[(3,4-dihydroxyphenyl)methyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 14159176
benzene-1,2-diol;ethane;4,6,8-trihydroxy-3,4-dihydro-2H-1-benzoxepin-5-one
CID 142337135
2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
CID 71307292
(2R,3S)-2,5,7-trihydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 11369709
(2S,3R)-2,5,7-trihydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 162900254
2-(3,4-dihydroxyphenyl)-2,3-bis[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromene-3,5,7-triol
CID 67303158
(3R)-2,3,4-tribromo-2-(3,4-dihydroxyphenyl)-4H-chromene-3,5,7-triol
CID 139898380
benzene-1,2,3-triol;(3R)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
CID 144974292

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one?
The IUPAC name of (2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one (CID 175835485) is (2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one.
What is the SMILES notation for (2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one?
The canonical SMILES for (2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one is O=C1c2c(O)cc(O)cc2O[C@@](c2ccc(O)c(O)c2)([C@]2(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)[C@H]1O.
What is the InChIKey of (2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one?
The InChIKey is BDPQTPCTRGIVGG-VZNYXHRGSA-N. The full InChI is InChI=1S/C30H22O14/c31-13-7-19(37)23-21(9-13)43-29(27(41)25(23)39,11-1-3-15(33)17(35)5-11)30(12-2-4-16(34)18(36)6-12)28(42)26(40)24-20(38)8-14(32)10-22(24)44-30/h1-10,27-28,31-38,41-42H/t27-,28-,29+,30+/m0/s1.
What are the key properties of (2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one?
(2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one has a molecular weight of 606.49 g/mol, XLogP of 1.69, 3 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-3H-chromen-2-yl]-3,5,7-trihydroxy-3H-chromen-4-one is sourced from PubChem (CID 175835485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).