Summary

IMPPAT Phytochemical identifier: IMPHY012733

Phytochemical name: Ovatifolin

Synonymous chemical names:
ovatifolin

External chemical identifiers:
CID:5281492, ChEBI:7806

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Chemical structure information

SMILES:
CC(=O)OC/C/1=CCC/C(=C/[C@@H]2[C@@H]([C@@H](C1)O)C(=C)C(=O)O2)/C

InChI:
InChI=1S/C17H22O5/c1-10-5-4-6-13(9-21-12(3)18)8-14(19)16-11(2)17(20)22-15(16)7-10/h6-7,14-16,19H,2,4-5,8-9H2,1,3H3/b10-7+,13-6-/t14-,15-,16-/m1/s1

InChIKey:
XFJQSSRNKXJHCG-KZTFHYRBSA-N

DeepSMILES:
CC=O)OC/C=CCC/C=C/[C@@H][C@@H][C@@H]C%10)O))C=C)C=O)O5))))))/C

Functional groups:
C/C(C)=C/C, C/C=C(/C)C, C=C1CCOC1=O, CO, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2C=CCCC=CCCC12

Scaffold Graph/Node level:
CC1C(O)OC2CCCCCCCCC21

Scaffold Graph level:
CC1CC2CCCCCCCCC2C1C

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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: Germacrane sesquiterpenoids

NP-Likeness score: 2.971

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Chemical structure download