Summary

IMPPAT Phytochemical identifier: IMPHY017830

Phytochemical name: Eudesma-2,6,8-triene

Synonymous chemical names:
eudesma-2,6,8-triene

External chemical identifiers:
CID:91747309

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Chemical structure information

SMILES:
CC1C=CC[C@@]2(C1C=C(C=C2)C(C)C)C

InChI:
InChI=1S/C15H22/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5-7,9-12,14H,8H2,1-4H3/t12?,14?,15-/m0/s1

InChIKey:
BFYTTXKZKHLFMT-ZALBZXLWSA-N

DeepSMILES:
CCC=CC[C@@]C6C=CC=C6))CC)C)))))C

Functional groups:
CC1=CCCC=C1, CC=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CC=CCC2C=C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: 2.486

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Chemical structure download