Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001409

Phytochemical name: Sesquisabinene

Synonymous chemical names:
sesquisabinene, Sesquisabinene

External chemical identifiers:
CID:CID_25202482

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Chemical structure information

SMILES:
CC(=CCCC(C12CCC(=C)C2C1)C)C

InChI:
InChI=1S/C15H24/c1-11(2)6-5-7-13(4)15-9-8-12(3)14(15)10-15/h6,13-14H,3,5,7-10H2,1-2,4H3

InChIKey:
DYUSFBWNOCHOFP-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCCCCC=C)C5C6))))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CC12

Scaffold Graph/Node level:
CC1CCC2CC12

Scaffold Graph level:
CC1CCC2CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cyclobisabolane sesquiterpenoids

NP-Likeness score: 3.419

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Chemical structure download