Summary

IMPPAT Phytochemical identifier: IMPHY012574

Phytochemical name: Kazinol B

Synonymous chemical names:
kazinol b

External chemical identifiers:
CID:480869, ChEMBL:CHEMBL465371, ZINC:ZINC000005854490, SureChEMBL:SCHEMBL3692685, MolPort-005-945-731

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Chemical structure information

SMILES:
CC(=CCc1c(cc2c(c1O)OC(C=C2)(C)C)[C@@H]1CCc2c(O1)cc(cc2)O)C

InChI:
InChI=1S/C25H28O4/c1-15(2)5-9-19-20(13-17-11-12-25(3,4)29-24(17)23(19)27)21-10-7-16-6-8-18(26)14-22(16)28-21/h5-6,8,11-14,21,26-27H,7,9-10H2,1-4H3/t21-/m0/s1

InChIKey:
QSCBHDIGHKHWKC-NRFANRHFSA-N

DeepSMILES:
CC=CCcccccc6O))OCC=C6))C)C))))))[C@@H]CCccO6)cccc6))O))))))))))))C

Functional groups:
CC=C(C)C, cC=CC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2cc(C3CCc4ccccc4O3)ccc2OC1

Scaffold Graph/Node level:
C1COC2CCC(C3CCC4CCCCC4O3)CC2C1

Scaffold Graph level:
C1CCC2CC(C3CCC4CCCCC4C3)CCC2C1

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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: Isoflavonoids

NP-Likeness score: 2.726

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Chemical structure download