Summary

IMPPAT Phytochemical identifier: IMPHY014185

Phytochemical name: Veranisatin C

Synonymous chemical names:
veranisatins c

External chemical identifiers:
CID:10643000, ChEBI:172602, ZINC:ZINC000039139774

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Chemical structure information

SMILES:
COC(=O)[C@]1(O)[C@@H]2OC(=O)[C@@H]([C@@]3(C2)[C@]([C@@]21COC2=O)(O)[C@H](O)C[C@H]3C)O

InChI:
InChI=1S/C16H20O10/c1-6-3-7(17)16(23)13(6)4-8(26-10(19)9(13)18)15(22,12(21)24-2)14(16)5-25-11(14)20/h6-9,17-18,22-23H,3-5H2,1-2H3/t6-,7-,8-,9+,13+,14+,15-,16-/m1/s1

InChIKey:
JTVRXANWSWLMEV-SGRUWRQSSA-N

DeepSMILES:
COC=O)[C@]O)[C@@H]OC=O)[C@@H][C@@]C6)[C@][C@]8COC4=O)))))O)[C@H]O)C[C@H]5C))))))O

Functional groups:
CO, COC(C)=O, O=C1CCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC23CCCC2C2(COC2=O)CC(C3)O1

Scaffold Graph/Node level:
OC1CC23CCCC2C2(COC2O)CC(C3)O1

Scaffold Graph level:
CC1CC2CC3(CCCC3C3(CCC3C)C2)C1

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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: Prezizaane sesquiterpenoids

NP-Likeness score: 3.19

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Chemical structure download