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Chemical structure of Procyanidin A1

GC36974

Procyanidin A1

Also known as (1R,5R,6S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol

Procyanidin A1 (Proanthocyanidin A1) is a procyanidin dimer, which inhibits degranulation downstream of protein kinase C activation or Ca2+ influx from an internal store in RBL-213 cells

ChemicalCAS103883-03-0MW576.5FormulaC30H24O12
CAS number
103883-03-0
Molecular weight
576.5
Formula
C30H24O12
Solubility
DMSO ： 100 mg/mL (173·46 mM; Need ultrasonic)
InChIKey
NSEWTSAADLNHNH-TXZJYACMSA-N
Catalogue number
GC36974
Brand
GLPBIO
Computed properties PubChem CID 9872976 · XLogP 2.4 · TPSA 210 Ų · H-bond donors 9
XLogP
2.4
TPSA
210 Ų
H-bond donors
9
H-bond acceptors
12
Rotatable bonds
2
Heavy atoms
42

SMILES C1[C@@H]([C@H](OC2=C1C(=CC3=C2[C@@H]4[C@H]([C@](O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O

Computed descriptors from PubChem (CID 9872976), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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