Summary

IMPPAT Phytochemical identifier: IMPHY017837

Phytochemical name: 1,12-Epoxycadina-3,11-diene

Synonymous chemical names:
1,12-epoxycadina-3,11-diene

External chemical identifiers:
CID:91747469

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Chemical structure information

SMILES:
CC1=CCC23C(C1)C(CCC3C)C(=C)CO2

InChI:
InChI=1S/C15H22O/c1-10-6-7-15-12(3)4-5-13(14(15)8-10)11(2)9-16-15/h6,12-14H,2,4-5,7-9H2,1,3H3

InChIKey:
UVENIXMYKAFBBY-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6)CCCC6C))))C=C)CO6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1COC23CC=CCC2C1CCC3

Scaffold Graph/Node level:
CC1COC23CCCCC2C1CCC3

Scaffold Graph level:
CC1CCC23CCCCC2C1CCC3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 3.153

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Chemical structure download