Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018224

Phytochemical name: Cadina-4,9-diene

Synonymous chemical names:
Cadina-4,9-diene

External chemical identifiers:
CID:CID_91748288

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Chemical structure information

SMILES:
CC1CCC2C(=C1)[C@H](CC=C2C)C(C)C

InChI:
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-11,13-14H,5,7-8H2,1-4H3/t11?,13-,14?/m1/s1

InChIKey:
VIJZUYWOPTZBJY-HRDQMINSSA-N

DeepSMILES:
CCCCCC=C6)[C@H]CC=C6C))))CC)C

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCC=C2CC1

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: 2.222

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Chemical structure download