Summary

IMPPAT Phytochemical identifier: IMPHY017544

Phytochemical name: Cadala-1(10),3,8-triene

Synonymous chemical names:
cadala-1(10) 3 8 triene, cadala-1(10),3,8-triene

External chemical identifiers:
CID:593889

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Chemical structure information

SMILES:
CC1C=CC2=C(C)C=CC(C2C1)C(C)C

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

InChIKey:
GHOAKWKHPKLCNK-UHFFFAOYSA-N

DeepSMILES:
CCC=CC=CC)C=CCC6C%10))CC)C

Functional groups:
CC=CC1=C(C)C=CCC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCC=CC2=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: Cadinane sesquiterpenoids

NP-Likeness score: 1.728

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Chemical structure download