Summary

IMPPAT Phytochemical identifier: IMPHY015164

Phytochemical name: 1,5,9,9-Tetramethyl-1,4,7-cycloundecatriene

Synonymous chemical names:
1,4,7,-cycloundecatriene, 1,5,9,9-tetramethyl-z,z,z, 1,4,7,-cycloundecatriene,1,5,9,9-tetramethyl-,z,z,z-

External chemical identifiers:
CID:5368784

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Chemical structure information

SMILES:
C/C/1=C/C/C=C(/C)C/C=CC(CC1)(C)C

InChI:
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-8,11H,5,9-10,12H2,1-4H3/b11-6-,13-7-,14-8-

InChIKey:
FVWQAXRELOCFSV-AZDRRDCDSA-N

DeepSMILES:
C/C=C/C/C=C/C)C/C=CCCC%11))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC=CCCCC=CC1

Scaffold Graph/Node level:
C1CCCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Humulane sesquiterpenoids

NP-Likeness score: 2.642

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Chemical structure download