Summary

IMPPAT Phytochemical identifier: IMPHY010429

Phytochemical name: Hinokiol

Synonymous chemical names:
hinokiol

External chemical identifiers:
CID:12310492, ChEMBL:CHEMBL1277661, ZINC:ZINC000005648525, SureChEMBL:SCHEMBL854936, MolPort-035-705-815

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Chemical structure information

SMILES:
CC(c1cc2CC[C@@H]3[C@](c2cc1O)(C)CC[C@@H](C3(C)C)O)C

InChI:
InChI=1S/C20H30O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h10-12,17-18,21-22H,6-9H2,1-5H3/t17-,18-,20+/m0/s1

InChIKey:
ODFCWXVQZAQDSO-CMKODMSKSA-N

DeepSMILES:
CCcccCC[C@@H][C@]c6cc%10O))))C)CC[C@@H]C6C)C))O)))))))))))C

Functional groups:
CO, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCC1CCCCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Podocarpane diterpenoids

NP-Likeness score: 2.544

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Chemical structure download