Summary

IMPPAT Phytochemical identifier: IMPHY013262

Phytochemical name: Cropodine

Synonymous chemical names:
cropodine

External chemical identifiers:
CID:15558975

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Chemical structure information

SMILES:
O=C1OC2CCN3C2C(CC3)COC(=O)C(C(C1C)(C)O)(C)O

InChI:
InChI=1S/C16H25NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h9-12,20-21H,4-8H2,1-3H3

InChIKey:
IDBGJRAMJYRSKU-UHFFFAOYSA-N

DeepSMILES:
O=COCCCNC5CCC5))COC=O)CCC%14C))C)O))C)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC(=O)OC2CCN3CCC(CO1)C23

Scaffold Graph/Node level:
OC1CCCC(O)OC2CCN3CCC(CO1)C23

Scaffold Graph level:
CC1CCCC(C)CC2CCC3CCC(CC1)C32

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Pyrrolizidine alkaloids

NP-Likeness score: 2.399

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Chemical structure download