Summary

IMPPAT Phytochemical identifier: IMPHY000335

Phytochemical name: Neosarpagine

Synonymous chemical names:
neosarpagine

External chemical identifiers:
CID:102075607

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Chemical structure information

SMILES:
OC[C@H]1[C@@H]2Cc3c([C@H]4N2CC([C@@H]1C4)C=C)[nH]c1c3cc(O)cc1

InChI:
InChI=1S/C19H22N2O2/c1-2-10-8-21-17-7-14-13-5-11(23)3-4-16(13)20-19(14)18(21)6-12(10)15(17)9-22/h2-5,10,12,15,17-18,20,22-23H,1,6-9H2/t10?,12-,15+,17-,18-/m0/s1

InChIKey:
ZWEVQYKAXIUCLP-AMDDAFOPSA-N

DeepSMILES:
OC[C@H][C@@H]Ccc[C@H]N6CC[C@@H]%10C6))C=C))))))[nH]cc5ccO)cc6

Functional groups:
C=CC, CN(C)C, CO, cO, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c3c([nH]c2c1)C1CC2CCN1C(C3)C2

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C2CC2CC3CCN2C1C3

Scaffold Graph level:
C1CCC2C(C1)CC1C3CC4CCC3C(C4)CC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Macroline alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 1.92

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Chemical structure download