Summary

IMPPAT Phytochemical identifier: IMPHY007796

Phytochemical name: Dehydrocarissone

Synonymous chemical names:
dehydrocarissone

External chemical identifiers:
CID:10868238, ZINC:ZINC000014452368

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Chemical structure information

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

InChI:
InChI=1S/C15H22O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h6,8,11,17H,5,7,9H2,1-4H3/t11-,15+/m1/s1

InChIKey:
LANJJAPTVZVEFL-ABAIWWIYSA-N

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

Functional groups:
CC1=C(C)C(=O)C=CC1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2CCCCC2=C1

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: 2.738

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Chemical structure download