Summary

IMPPAT Phytochemical identifier: IMPHY008370

Phytochemical name: Myoporone

Synonymous chemical names:
myoporone

External chemical identifiers:
CID:29632, ZINC:ZINC000005440553, FDASRS:9CU2GMF9T0

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Chemical structure information

SMILES:
C[C@H](CC(=O)CC(C)C)CCC(=O)c1ccoc1

InChI:
InChI=1S/C15H22O3/c1-11(2)8-14(16)9-12(3)4-5-15(17)13-6-7-18-10-13/h6-7,10-12H,4-5,8-9H2,1-3H3/t12-/m0/s1

InChIKey:
IUEKVLLAZUXWTL-LBPRGKRZSA-N

DeepSMILES:
C[C@H]CC=O)CCC)C)))))CCC=O)cccoc5

Functional groups:
CC(C)=O, cC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.161

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Chemical structure download