Summary

IMPPAT Phytochemical identifier: IMPHY014642

Phytochemical name: Cadinene dihydrochloride

Synonymous chemical names:
cadinene dihydrochloride

External chemical identifiers:
CID:129700733

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Chemical structure information

SMILES:
CC1=C[C@H]2[C@@H](CC1)C(=CC[C@H]2C(C)C)C.Cl.Cl

InChI:
InChI=1S/C15H24.2ClH/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14;;/h6,9-10,13-15H,5,7-8H2,1-4H3;2*1H/t13-,14-,15+;;/m0../s1

InChIKey:
MDAKBUMVSGJSNG-DPJDSMRSSA-N

DeepSMILES:
CC=C[C@H][C@@H]CC6))C=CC[C@H]6CC)C)))))C.Cl.Cl

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC=CC2CC1

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: 2.63

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Chemical structure download