Summary

IMPPAT Phytochemical identifier: IMPHY011155

Phytochemical name: Stemonidine

Synonymous chemical names:
stemonidine

External chemical identifiers:
CID:24721470, ZINC:ZINC000070454845

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Chemical structure information

SMILES:
CO[C@H]1CCCN2[C@@H]([C@]31OC(=O)[C@H](C3)C)CC[C@H]2[C@H]1OC(=O)[C@H](C1)C

InChI:
InChI=1S/C19H29NO5/c1-11-9-14(24-17(11)21)13-6-7-15-19(10-12(2)18(22)25-19)16(23-3)5-4-8-20(13)15/h11-16H,4-10H2,1-3H3/t11-,12-,13-,14-,15+,16-,19+/m0/s1

InChIKey:
TZPKEJFBTXRNTK-OSPICLMDSA-N

DeepSMILES:
CO[C@H]CCCN[C@@H][C@@]7OC=O)[C@H]C5)C)))))CC[C@H]5[C@H]OC=O)[C@H]C5)C

Functional groups:
CC(=O)OC, CN(C)C, COC, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC(C2CCC3N2CCCCC32CCC(=O)O2)O1

Scaffold Graph/Node level:
OC1CCC(C2CCC3N2CCCCC32CCC(O)O2)O1

Scaffold Graph level:
CC1CCC(C2CCC3C2CCCCC32CCC(C)C2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Stemona alkaloids

ClassyFire Subclass: Tuberostemospironine-type alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Stemona alkaloids

NP-Likeness score: 2.751

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Chemical structure download