Summary

IMPPAT Phytochemical identifier: IMPHY007924

Phytochemical name: Corymbolone

Synonymous chemical names:
corymbolone

External chemical identifiers:
CID:178931, ChEBI:65659

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Chemical structure information

SMILES:
CC(=C)[C@@H]1CC[C@@]2([C@](C1)(O)[C@@H](C)CCC2=O)C

InChI:
InChI=1S/C15H24O2/c1-10(2)12-7-8-14(4)13(16)6-5-11(3)15(14,17)9-12/h11-12,17H,1,5-9H2,2-4H3/t11-,12+,14-,15+/m0/s1

InChIKey:
BMGSSZITOGSORO-MYZSUADSSA-N

DeepSMILES:
CC=C)[C@@H]CC[C@@][C@]C6)O)[C@@H]C)CCC6=O))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC2CCCCC12

Scaffold Graph/Node level:
OC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: 2.858

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Chemical structure download