Summary
SMILES: Oc1cc(O)c2c(c1)O[C@@H]([C@@H]([C@H]2c1c(O)cc(c2c1O[C@@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)OInChI: InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1InChIKey: XFZJEEAOWLFHDH-NFJBMHMQSA-N
DeepSMILES: OcccO)ccc6)O[C@@H][C@@H][C@H]6ccO)cccc6O[C@@H][C@@H]C6)O))cccccc6)O))O)))))))))O))))))O))cccccc6)O))O
Scaffold Graph/Node/Bond level: c1ccc(C2CC(c3cccc4c3OC(c3ccccc3)CC4)c3ccccc3O2)cc1
Scaffold Graph/Node level: C1CCC(C2CC(C3CCCC4CCC(C5CCCCC5)OC43)C3CCCCC3O2)CC1
Scaffold Graph level: C1CCC(C2CCC3CCCC(C4CC(C5CCCCC5)CC5CCCCC54)C3C2)CC1
Functional groups: CO; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: Biflavonoids and polyflavonoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Proanthocyanins
Synonymous chemical names:(2r,2r,3s,3s,4s)-3,3,4,5,7-pentahydroxyflavan(4?8)-3,3,4,5,7-pentah+, 3,3,4,5,7-pentahydroxyflavan(4?8)-3,4,5,7-tetrahydroxyflavan, procyanidin b-2, procyanidin b2, procyanidin dimer b2, procyanidin-b-2, procyanidins b2, procyanidol b2
External chemical identifiers:CID:122738; ChEMBL:CHEMBL38714; ChEBI:75632; ZINC:ZINC000026490614; FDASRS:L88HKE854X; SureChEMBL:SCHEMBL288579; MolPort-003-932-480
Chemical structure download