Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017978

Phytochemical name: Longipinane, (e)-

Synonymous chemical names:
Longipinane, (E)-

External chemical identifiers:
CID:CID_572863

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Chemical structure information

SMILES:
CC1CCC2C3C1C2(C)CCCC3(C)C

InChI:
InChI=1S/C15H26/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h10-13H,5-9H2,1-4H3

InChIKey:
OVEGUURYEATKCQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6C4C)CCCC7C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3CCCC2C3C1

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: 2.769

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Chemical structure download