Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018129

Phytochemical name: Di-epi-α-cedrene-(i)

Synonymous chemical names:
Di-epi-α-cedrene-(I)

Chemical structure information

SMILES:
CC1C=CC23CC1C(C)(C)C2CCC3C

InChI:
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7-8,10-13H,5-6,9H2,1-4H3

InChIKey:
KANBSDYNZJCGLT-UHFFFAOYSA-N

DeepSMILES:
CCC=CCCC6CC)C)C5CCC8C

Functional groups:
CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCCC2CC(C1)C3

Scaffold Graph/Node level:
C1CC2CC3CCCC3(C1)C2

Scaffold Graph level:
C1CC2CC3CCCC3(C1)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Silphinane sesquiterpenoids

NP-Likeness score: 2.68

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Chemical structure download