Summary

IMPPAT Phytochemical identifier: IMPHY013923

Phytochemical name: Echitamidin

Synonymous chemical names:
echitamidine

External chemical identifiers:
CID:190982

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Chemical structure information

SMILES:
COC(=O)C1=C2Nc3c(C42[C@@H]2C[C@H]1[C@@H](CN2CC4)[C@@H](O)C)cccc3

InChI:
InChI=1S/C20H24N2O3/c1-11(23)13-10-22-8-7-20-14-5-3-4-6-15(14)21-18(20)17(19(24)25-2)12(13)9-16(20)22/h3-6,11-13,16,21,23H,7-10H2,1-2H3/t11-,12-,13-,16-,20?/m0/s1

InChIKey:
DWLJVOJBWLYMJO-CZGIKHJPSA-N

DeepSMILES:
COC=O)C=CNccC5[C@@H]C[C@H]9[C@@H]CN6CC9))))[C@@H]O)C)))))))cccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2Nc3ccccc3C23CCN2CCC1CC23

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CC3CCN4CCC12C4C3

Scaffold Graph level:
C1CCC2C(C1)CC1CC3CCC4CCC12C4C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Strychnos alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type, Strychnos type

NP-Likeness score: 1.968

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Chemical structure download