Summary

IMPPAT Phytochemical identifier: IMPHY015397

Phytochemical name: 5,11-Epoxycadin-1(10)-ene

Synonymous chemical names:
5,11-epoxycadin-1(10)-ene

External chemical identifiers:
CID:6429079

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Chemical structure information

SMILES:
CC1CCC2C3C1OC(C3CCC2=C)(C)C

InChI:
InChI=1S/C15H24O/c1-9-6-8-12-13-11(9)7-5-10(2)14(13)16-15(12,3)4/h10-14H,1,5-8H2,2-4H3

InChIKey:
QIBQOCDVTFISGY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6OCC5CCC9=C)))))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2COC3CCCC1C23

Scaffold Graph/Node level:
CC1CCC2COC3CCCC1C23

Scaffold Graph level:
CC1CCC2CCC3CCCC1C32

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxolanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Guaiane sesquiterpenoids

NP-Likeness score: 2.833

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Chemical structure download