Summary

IMPPAT Phytochemical identifier: IMPHY000968

Phytochemical name: Confertifolin

Synonymous chemical names:
8-drimen-12,11-olide, confertifolin

External chemical identifiers:
CID:442187, ChEBI:3855, ZINC:ZINC000000898455, SureChEMBL:SCHEMBL11403009

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Chemical structure information

SMILES:
O=C1OCC2=C1CC[C@@H]1[C@]2(C)CCCC1(C)C

InChI:
InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h12H,4-9H2,1-3H3/t12-,15+/m0/s1

InChIKey:
ZERYGJQXPPRRCW-SWLSCSKDSA-N

DeepSMILES:
O=COCC=C5CC[C@@H][C@]6C)CCCC6C)C

Functional groups:
CC1=C(C)COC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCC2=C1CCC1CCCCC21

Scaffold Graph/Node level:
OC1OCC2C3CCCCC3CCC12

Scaffold Graph level:
CC1CCC2C1CCC1CCCCC12

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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: 3.26

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Chemical structure download