Summary

IMPPAT Phytochemical identifier: IMPHY010575

Phytochemical name: Carissone

Synonymous chemical names:
carisson, carissone

External chemical identifiers:
CID:11770473, ZINC:ZINC000000402433

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Chemical structure information

SMILES:
O=C1CC[C@]2(C(=C1C)C[C@@H](CC2)C(O)(C)C)C

InChI:
InChI=1S/C15H24O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h11,17H,5-9H2,1-4H3/t11-,15+/m1/s1

InChIKey:
ZWSWPQHKDLDIDL-ABAIWWIYSA-N

DeepSMILES:
O=CCC[C@]C=C6C))C[C@@H]CC6))CO)C)C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CCCCC2CC1

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: 2.682

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Chemical structure download