Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003182

Phytochemical name: alpha-Panasinsene

Synonymous chemical names:
α- panasinsene, panasinsene,alpha-, (-)-α-panasinsen, α-panasinsene, alpha-panasinsene, (−)-α-panasinsen

External chemical identifiers:
CID:CID_578929

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Chemical structure information

SMILES:
CC1=CCCC2(C31CC(C3CC2)(C)C)C

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

InChIKey:
WHXUZXDWQKUIJL-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6CCC4CC7)))C)C))))C

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCC2CCC3CC1

Scaffold Graph/Node level:
C1CCC23CCC2CCC3C1

Scaffold Graph level:
C1CCC23CCC2CCC3C1

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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: Panasinsane sesquiterpenoids

NP-Likeness score: 3.171

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Chemical structure download