Summary

IMPPAT Phytochemical identifier: IMPHY016722

Phytochemical name: Longifolene-(V4)

Synonymous chemical names:
longifolene-(v4)

External chemical identifiers:
CID:570529

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Chemical structure information

SMILES:
CC1(C)CC=CC2(C3C1CC2(C)CC3)C

InChI:
InChI=1S/C15H24/c1-13(2)7-5-8-15(4)11-6-9-14(15,3)10-12(11)13/h5,8,11-12H,6-7,9-10H2,1-4H3

InChIKey:
KDCDEJOGNTYMEQ-UHFFFAOYSA-N

DeepSMILES:
CCC)CC=CCCC7CC5C)CC6))))))C

Functional groups:
CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C3CCC2C(CC1)C3

Scaffold Graph/Node level:
C1CCC2C3CCC2C(C1)C3

Scaffold Graph level:
C1CCC2C3CCC2C(C1)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Longifolane sesquiterpenoids

NP-Likeness score: 3.081

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Chemical structure download