Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID008978

Phytochemical name: Alpha-Longipinene

Synonymous chemical names:
Alpha-Longipinene, alpha longipinene, (+)-α-longipinene, alpha-longipinene, (+)-alpha-Longipinene

External chemical identifiers:
CID:CID_12311396, ChEBI:CHEBI:62752, FDASRS:104AN9V5Q1

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Chemical structure information

SMILES:
CC1=CC[C@@H]2[C@@H]3[C@H]1[C@@]2(C)CCCC3(C)C

InChI:
InChI=1S/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h6,11-13H,5,7-9H2,1-4H3/t11-,12+,13-,15+/m1/s1

InChIKey:
HICYDYJTCDBHMZ-COMQUAJESA-N

DeepSMILES:
CC=CC[C@@H][C@@H][C@H]6[C@@]4C)CCCC7C)C

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C3CCCCC2C3C1

Scaffold Graph/Node level:
C1CCC2C3CCCC2C3C1

Scaffold Graph level:
C1CCC2C3CCCC2C3C1

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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: Longipinane sesquiterpenoids

NP-Likeness score: 3.117

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Chemical structure download