Summary

IMPPAT Phytochemical identifier: IMPHY001019

Phytochemical name: Drimenin

Synonymous chemical names:
drimenin

External chemical identifiers:
CID:442202, ChEMBL:CHEMBL457165, ChEBI:4715, FDASRS:Z8JC838JKO, SureChEMBL:SCHEMBL7620450

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Chemical structure information

SMILES:
O=C1OCC2=CC[C@@H]3[C@]([C@@H]12)(C)CCCC3(C)C

InChI:
InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11(14)6-5-10-9-17-13(16)12(10)15/h5,11-12H,4,6-9H2,1-3H3/t11-,12+,15-/m0/s1

InChIKey:
BQNSBENKJCLJGN-ZOWXZIJZSA-N

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

Functional groups:
CC=C(C)C, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCC2=CCC3CCCCC3C12

Scaffold Graph/Node level:
OC1OCC2CCC3CCCCC3C21

Scaffold Graph level:
CC1CCC2CCC3CCCCC3C12

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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: 3.282

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Chemical structure download