Summary

IMPPAT Phytochemical identifier: IMPHY004669

Phytochemical name: Santolina triene

Synonymous chemical names:
santolina triene, santolinatriene

External chemical identifiers:
CID:519872, ChEBI:90018

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Chemical structure information

SMILES:
C=CC(C(=C)C)C=C(C)C

InChI:
InChI=1S/C10H16/c1-6-10(9(4)5)7-8(2)3/h6-7,10H,1,4H2,2-3,5H3

InChIKey:
ZQGDEJAPCUGBRH-UHFFFAOYSA-N

DeepSMILES:
C=CCC=C)C))C=CC)C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.7

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Chemical structure download