IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
(+)-Leucocyanidin
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY011966
Phytochemical name:
(+)-Leucocyanidin
Synonymous chemical names:
(+)-leucocyanidin, (+)leucocyanidin
External chemical identifiers:
CID:155206
,
ChEMBL:CHEMBL126393
,
ZINC:ZINC000003591028
Chemical structure information
SMILES:
Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H]([C@@H](c2c(c1)O)O)O
InChI:
InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14+,15-/m1/s1
InChIKey:
SBZWTSHAFILOTE-QLFBSQMISA-N
DeepSMILES:
OcccO[C@H]cccccc6)O))O)))))[C@H][C@@H]c6cc%10)O)))O))O
Functional groups:
CO, cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc(C2CCc3ccccc3O2)cc1
Scaffold Graph/Node level:
C1CCC(C2CCC3CCCCC3O2)CC1
Scaffold Graph level:
C1CCC(C2CCC3CCCCC3C2)CC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Phenylpropanoids and polyketides
ClassyFire Class:
Flavonoids
ClassyFire Subclass:
Flavans
NP Classifier Biosynthetic pathway:
Shikimates and Phenylpropanoids
NP Classifier Superclass:
Flavonoids
NP Classifier Class:
Flavandiols (Leucoanthocyanidins)
NP-Likeness score:
2.354
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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