Identification

PhytoHub ID
PHUB000281
Name
Procyanidin dimer B7
Systematic Name
Not Available
Synonyms
  • Epicatechin-(4,6)-catechin
CAS Number
Not Available
Average Mass
578.526
Monoisotopic Mass
578.142426277
Chemical Formula
C30H26O12
IUPAC Name
Not Available
InChI Key
OHIUVDQGXUITJQ-RRZQRCDDSA-N
InChI Identifier
InChI=1S/C30H26O12/c31-13-7-20(36)23-22(8-13)42-30(12-2-4-17(33)19(35)6-12)28(40)25(23)24-21(37)9-14-15(26(24)38)10-41-29(27(14)39)11-1-3-16(32)18(34)5-11/h1-9,25,27-40H,10H2/t25-,27+,28?,29-,30-/m1/s1
SMILES
OC1[[email protected]](OC2=CC(O)=CC(O)=C2[[email protected]@H]1C1=C(O)C2=C(C=C1O)[[email protected]](O)[[email protected]](OC2)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.40e-01 g/l
LogS (ALOGPS)
-3.62
LogP (ALOGPS)
2.22
Hydrogen Acceptors
Not Available
Hydrogen Donors
Not Available
Rotatable Bond Count
Not Available
Polar Surface Area
Not Available
Refractivity
Not Available
Polarizability
Not Available
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanols

Spectra

No spectra information available

Food Sources

NameGroup
AppleFruit, Pomes PublicationsShow
Green teaTeas and herbal teas PublicationsShow

Metabolism

No metabolism information available

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