Summary

IMPPAT Phytochemical identifier: IMPHY009688

Phytochemical name: 3,7(11)-Eudesmadiene

Synonymous chemical names:
3,7(11)-selinadiene, selina-3(7),11-diene, selina-3,7 (11)-diene, selina-3,7(11 )-diene, selina-3,7(11)-diene, selina-3.7( 1 1)-diene

External chemical identifiers:
CID:522296, ChEBI:166668

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Chemical structure information

SMILES:
CC1=CCCC2(C1CC(=C(C)C)CC2)C

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

InChIKey:
WNRBYZQFEBIUGD-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6CC=CC)C))CC6)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCC=CC2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 3.246

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Chemical structure download