Summary

IMPPAT Phytochemical identifier: IMPHY003542

Phytochemical name: (+-)-Teframidine

Synonymous chemical names:
reframidine

External chemical identifiers:
CID:436140

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Chemical structure information

SMILES:
CN1CC2c3c(CC1c1c2cc2c(c1)OCO2)cc1c(c3)OCO1

InChI:
InChI=1S/C19H17NO4/c1-20-7-14-11-4-17-16(21-8-22-17)3-10(11)2-15(20)13-6-19-18(5-12(13)14)23-9-24-19/h3-6,14-15H,2,7-9H2,1H3

InChIKey:
VCIZOTXPSIGTKG-UHFFFAOYSA-N

DeepSMILES:
CNCCccCC7cc7cccc6)OCO5))))))))))cccc6)OCO5

Functional groups:
CN(C)C, c1cOCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1c2c(cc3c1OCO3)C1CNC(C2)c2cc3c(cc21)OCO3

Scaffold Graph/Node level:
C1OC2CC3CC4NCC(C3CC2O1)C1CC2OCOC2CC41

Scaffold Graph level:
C1CC2CC3CC4CCC(C3CC2C1)C1CC2CCCC2CC41

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Dibenzocycloheptenes

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 1.109

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Chemical structure download