Summary

IMPPAT Phytochemical identifier: IMPHY013147

Phytochemical name: Zeanoside C

Synonymous chemical names:
zeanoside c

External chemical identifiers:
CID:13988324

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Chemical structure information

SMILES:
OCC1OC(Oc2cccc3c2NC(=O)C3(O)CC(=O)O)C(C(C1O)O)O

InChI:
InChI=1S/C16H19NO10/c18-5-8-11(21)12(22)13(23)14(27-8)26-7-3-1-2-6-10(7)17-15(24)16(6,25)4-9(19)20/h1-3,8,11-14,18,21-23,25H,4-5H2,(H,17,24)(H,19,20)

InChIKey:
VNIXZLMYLWKZLU-UHFFFAOYSA-N

DeepSMILES:
OCCOCOcccccc6NC=O)C5O)CC=O)O)))))))))))))CCC6O))O))O

Functional groups:
CC(=O)O, CO, cNC(C)=O, cOC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Cc2cccc(OC3CCCCO3)c2N1

Scaffold Graph/Node level:
OC1CC2CCCC(OC3CCCCO3)C2N1

Scaffold Graph level:
CC1CC2CCCC(CC3CCCCC3)C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Simple oxindole alkaloids

NP-Likeness score: 1.609

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Chemical structure download