Summary

IMPPAT Phytochemical identifier: IMPHY016524

Phytochemical name: Baimuxinal

Synonymous chemical names:
baimuxinal

External chemical identifiers:
CID:135215

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Chemical structure information

SMILES:
O=CC1=CCCC(C21CCC(C2)C(O)(C)C)C

InChI:
InChI=1S/C15H24O2/c1-11-5-4-6-13(10-16)15(11)8-7-12(9-15)14(2,3)17/h6,10-12,17H,4-5,7-9H2,1-3H3

InChIKey:
OKBGEROEGQDLFK-UHFFFAOYSA-N

DeepSMILES:
O=CC=CCCCC6CCCC5)CO)C)C))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2(CCC1)CCCC2

Scaffold Graph/Node level:
C1CCC2(CC1)CCCC2

Scaffold Graph level:
C1CCC2(CC1)CCCC2

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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: Spirovetivane sesquiterpenoids

NP-Likeness score: 2.896

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Chemical structure download