Summary

IMPPAT Phytochemical identifier: IMPHY002083

Phytochemical name: Stemoninoamide

Synonymous chemical names:
stemoninoamide

External chemical identifiers:
CID:12116764, ChEMBL:CHEMBL482672, ZINC:ZINC000040943363

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Chemical structure information

SMILES:
CC[C@H]1[C@H]2[C@H](O[C@@]31C=C(C(=O)O3)C)CCCN1[C@H]2CCC1=O

InChI:
InChI=1S/C17H23NO4/c1-3-11-15-12-6-7-14(19)18(12)8-4-5-13(15)21-17(11)9-10(2)16(20)22-17/h9,11-13,15H,3-8H2,1-2H3/t11-,12-,13+,15+,17-/m0/s1

InChIKey:
DVRWOSGUHQABHJ-SCYMPEOESA-N

DeepSMILES:
CC[C@H][C@H][C@H]O[C@]5C=CC=O)O5))C)))))CCCN[C@H]7CCC5=O

Functional groups:
CC(=O)N(C)C, CC1=C[C@](C)(OC)OC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2(CC3C(CCCN4C(=O)CCC34)O2)O1

Scaffold Graph/Node level:
OC1CCC2(CC3C(CCCN4C(O)CCC34)O2)O1

Scaffold Graph level:
CC1CCC2(C1)CC1CCCC3C(C)CCC3C1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Stemona alkaloids

ClassyFire Subclass: Stemoamide-type alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Stemona alkaloids

NP-Likeness score: 2.3

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Chemical structure download