Summary

IMPPAT Phytochemical identifier: IMPHY008296

Phytochemical name: Gratissimene

Synonymous chemical names:
gratissimene

External chemical identifiers:
CID:101316466

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Chemical structure information

SMILES:
CC(C/C=C/C(C1=CCC(CC1)C)C)C

InChI:
InChI=1S/C15H26/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h5,7,10,12-14H,6,8-9,11H2,1-4H3/b7-5+

InChIKey:
AOTOEKFIRGUTMJ-FNORWQNLSA-N

DeepSMILES:
CCC/C=C/CC=CCCCC6))C)))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: Bisabolane sesquiterpenoids

NP-Likeness score: 2.018

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Chemical structure download