Summary

IMPPAT Phytochemical identifier: IMPHY000003

Phytochemical name: Isodrimeninol

Synonymous chemical names:
isodrimeninol

External chemical identifiers:
CID:11322321, ChEMBL:CHEMBL459607, ZINC:ZINC000015148130, SureChEMBL:SCHEMBL4814658

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Chemical structure information

SMILES:
O[C@@H]1OCC2=CC[C@@H]3[C@]([C@@H]12)(C)CCCC3(C)C

InChI:
InChI=1S/C15H24O2/c1-14(2)7-4-8-15(3)11(14)6-5-10-9-17-13(16)12(10)15/h5,11-13,16H,4,6-9H2,1-3H3/t11-,12+,13+,15-/m0/s1

InChIKey:
FCSNZJLUQLZSBW-JLNYLFASSA-N

DeepSMILES:
O[C@@H]OCC=CC[C@@H][C@][C@@H]96)C)CCCC6C)C

Functional groups:
CC=C(C)C, CO[C@H](C)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2COCC2C2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1COCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Drimane sesquiterpenoids

NP-Likeness score: 3.692

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Chemical structure download