Summary

IMPPAT Phytochemical identifier: IMPHY008147

Phytochemical name: Erysotramidine

Synonymous chemical names:
erysotramidine

External chemical identifiers:
CID:11034782, ZINC:ZINC000015203584, MolPort-035-705-691

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Chemical structure information

SMILES:
CO[C@H]1C=CC2=CC(=O)N3[C@]2(C1)c1cc(OC)c(cc1CC3)OC

InChI:
InChI=1S/C19H21NO4/c1-22-14-5-4-13-9-18(21)20-7-6-12-8-16(23-2)17(24-3)10-15(12)19(13,20)11-14/h4-5,8-10,14H,6-7,11H2,1-3H3/t14?,19-/m0/s1

InChIKey:
AUDDBHVKKYSXKU-PKDNWHCCSA-N

DeepSMILES:
CO[C@H]C=CC=CC=O)N[C@]5C9)cccOC))ccc6CC%10))))OC

Functional groups:
CN1CC(C=CC)=CC1=O, COC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C=CCCC23c2ccccc2CCN13

Scaffold Graph/Node level:
OC1CC2CCCCC23C2CCCCC2CCN13

Scaffold Graph level:
CC1CC2CCCCC23C1CCC1CCCCC13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Erythrina alkaloids

ClassyFire Subclass: Erythrinanes

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Indolizidine alkaloids

NP-Likeness score: 2.1

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Chemical structure download