Summary

IMPPAT Phytochemical identifier: IMPHY006518

Phytochemical name: Zoapatanolide B

Synonymous chemical names:
zoapatanolide b

External chemical identifiers:
CID:5458914

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Chemical structure information

SMILES:
C/C=C(C(=O)OC1/C(=CCC(O)/C(=CC2C(C1O)C(=C)C(=O)O2)/C)/C)/C

InChI:
InChI=1S/C20H26O6/c1-6-10(2)19(23)26-18-11(3)7-8-14(21)12(4)9-15-16(17(18)22)13(5)20(24)25-15/h6-7,9,14-18,21-22H,5,8H2,1-4H3/b10-6-,11-7-,12-9-

InChIKey:
ILHXFEFUBORMRT-KAFDAXIMSA-N

DeepSMILES:
C/C=CC=O)OC/C=CCCO)/C=CCCC%10O))C=C)C=O)O5))))))/C)))))/C)))))/C

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

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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: 3.281

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Chemical structure download