Summary

IMPPAT Phytochemical identifier: IMPHY008207

Phytochemical name: Magnolialide

Synonymous chemical names:
magnolialide

External chemical identifiers:
CID:636954

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Chemical structure information

SMILES:
CC1=C2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]2([C@@H](CC1)O)C

InChI:
InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-11,13,16H,2,4-7H2,1,3H3/t10-,11+,13-,15-/m0/s1

InChIKey:
STUGAIDUQVESQE-WJNVRWDZSA-N

DeepSMILES:
CC=C[C@H]OC=O)C=C)[C@@H]5CC[C@]9[C@@H]CC%13))O))C

Functional groups:
C=C1CCOC1=O, CC(C)=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2C3=CCCCC3CCC12

Scaffold Graph/Node level:
CC1C(O)OC2C3CCCCC3CCC12

Scaffold Graph level:
CC1CC2C3CCCCC3CCC2C1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eudesmane sesquiterpenoids

NP-Likeness score: 3.503

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Chemical structure download