Summary

IMPPAT Phytochemical identifier: IMPHY012628

Phytochemical name: Isolongifolene, 4,5-dehydro-

Synonymous chemical names:
isolongifolene,4,5-dehydro-

External chemical identifiers:
CID:583154

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Chemical structure information

SMILES:
CC1(C)C2C=CC3(C1=CCCC3(C)C)C2

InChI:
InChI=1S/C15H22/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6-7,9,11H,5,8,10H2,1-4H3

InChIKey:
WDEQMGGYMWMFIH-UHFFFAOYSA-N

DeepSMILES:
CCC)CC=CCC6=CCCC6C)C))))))C5

Functional groups:
CC=C(C)C, CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCCC=C2CC1C3

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: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Himachalane sesquiterpenoids

NP-Likeness score: 2.317

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Chemical structure download