Summary

IMPPAT Phytochemical identifier: IMPHY017645

Phytochemical name: Cadina-1,4-diene-3-ol

Synonymous chemical names:
cadina-1,4-diene-3-ol

External chemical identifiers:
CID:6431196

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Chemical structure information

SMILES:
CC(C1CCC(C2=CC(C(=CC12)C)O)C)C

InChI:
InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7-10,12,14-16H,5-6H2,1-4H3

InChIKey:
PDDMWQFBZZFOQR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC=CCC=CC%106))C))O))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2=CC1

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: 2.106

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Chemical structure download