Summary

IMPPAT Phytochemical identifier: IMPHY008451

Phytochemical name: Isolongifolene

Synonymous chemical names:
iso-longifolene, isolongifolene

External chemical identifiers:
CID:11127402, ChEMBL:CHEMBL3183415, ZINC:ZINC000002584367, FDASRS:PX6N25M90H, SureChEMBL:SCHEMBL3819702, MolPort-003-937-442

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Chemical structure information

SMILES:
CC1(C)[C@H]2CC[C@@]3(C1=CCCC3(C)C)C2

InChI:
InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3/t11-,15-/m0/s1

InChIKey:
CQUAYTJDLQBXCQ-NHYWBVRUSA-N

DeepSMILES:
CCC)[C@H]CC[C@@]C6=CCCC6C)C))))))C5

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CC3CCC2(CCC1)C3

Scaffold Graph/Node level:
C1CCC23CCC(CC2C1)C3

Scaffold Graph level:
C1CCC23CCC(CC2C1)C3

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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: Longifolane sesquiterpenoids

NP-Likeness score: 2.867

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Chemical structure download