Summary

IMPPAT Phytochemical identifier: IMPHY012627

Phytochemical name: Isolongifolene, 9,10-dehydro-

Synonymous chemical names:
9,10-dehydro-isolongifolene, 9,10-dehydroisolongifolene, isolongifolene, 9, 10-dehydro

External chemical identifiers:
CID:583109

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Chemical structure information

SMILES:
CC1(C)C2CCC3(C1=CC=CC3(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/h5-6,8,11H,7,9-10H2,1-4H3

InChIKey:
UIPKEVNEOFKIRG-UHFFFAOYSA-N

DeepSMILES:
CCC)CCCCC6=CC=CC6C)C))))))C5

Functional groups:
CC1=CC=CCC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC23CCC(CC2=C1)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: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Longifolane sesquiterpenoids

NP-Likeness score: 2.513

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Chemical structure download