(2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

C45H38O12 — CID 14281807

IUPAC(2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
SMILESOc1cc(O)c2c(c1)O[C@H](c1ccccc1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccccc1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccccc1)[C@H](O)C2
InChIInChI=1S/C45H38O12/c46-24-16-27(48)33-32(17-24)55-42(22-12-6-2-7-13-22)39(53)37(33)35-29(50)20-30(51)36-38(40(54)43(57-45(35)36)23-14-8-3-9-15-23)34-28(49)19-26(47)25-18-31(52)41(56-44(25)34)21-10-4-1-5-11-21/h1-17,19-20,31,37-43,46-54H,18H2/t31-,37-,38-,39-,40-,41-,42-,43-/m1/s1
InChIKeyGJVFJJMAIMSHIM-LSLARCDZSA-N
MW770.79 g/mol
LogP6.21
Rot. Bonds5

About (2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

(2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol (PubChem CID 14281807) has the molecular formula C45H38O12 and a molecular weight of 770.79 g/mol. Its IUPAC name is (2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.

Molecular Properties

Compound Name(2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
PubChem CID14281807
Molecular FormulaC45H38O12
Molecular Weight770.79 g/mol
Exact Mass770.24
IUPAC Name(2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
SMILESOc1cc(O)c2c(c1)O[C@H](c1ccccc1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccccc1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccccc1)[C@H](O)C2
InChIInChI=1S/C45H38O12/c46-24-16-27(48)33-32(17-24)55-42(22-12-6-2-7-13-22)39(53)37(33)35-29(50)20-30(51)36-38(40(54)43(57-45(35)36)23-14-8-3-9-15-23)34-28(49)19-26(47)25-18-31(52)41(56-44(25)34)21-10-4-1-5-11-21/h1-17,19-20,31,37-43,46-54H,18H2/t31-,37-,38-,39-,40-,41-,42-,43-/m1/s1
InChIKeyGJVFJJMAIMSHIM-LSLARCDZSA-N
XLogP6.21
TPSA209.76 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500770.79
LogP ≤ 56.21
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Analyze (2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol 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

Procyanidin B1
CID 11250133
Procyanidin B2
CID 122738
Glabridin
CID 124052
Vestitol, (-)-
CID 182259
(+)-Licoricidin
CID 480865
Theaflavin (Standard)
CID 114777
Procyanidin C1
CID 169853
Procyanidin B3
CID 146798
Procyanidin
CID 107876
Afzelechin
CID 442154
(-)-Epiafzelechin
CID 443639
Cinnamtannin B1
CID 475277

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?
The IUPAC name of (2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol (CID 14281807) is (2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol.
What is the SMILES notation for (2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?
The canonical SMILES for (2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol is Oc1cc(O)c2c(c1)O[C@H](c1ccccc1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccccc1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccccc1)[C@H](O)C2.
What is the InChIKey of (2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?
The InChIKey is GJVFJJMAIMSHIM-LSLARCDZSA-N. The full InChI is InChI=1S/C45H38O12/c46-24-16-27(48)33-32(17-24)55-42(22-12-6-2-7-13-22)39(53)37(33)35-29(50)20-30(51)36-38(40(54)43(57-45(35)36)23-14-8-3-9-15-23)34-28(49)19-26(47)25-18-31(52)41(56-44(25)34)21-10-4-1-5-11-21/h1-17,19-20,31,37-43,46-54H,18H2/t31-,37-,38-,39-,40-,41-,42-,43-/m1/s1.
What are the key properties of (2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol?
(2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol has a molecular weight of 770.79 g/mol, XLogP of 6.21, 5 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-phenyl-4-[(2R,3R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-phenyl-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol is sourced from PubChem (CID 14281807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).