Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006362

Phytochemical name: Swietenidin B

Synonymous chemical names:
swietenidins b, swietenidin b, Swietenidin B

External chemical identifiers:
CID:CID_442933, ChEBI:CHEBI:9373, SureChEMBL:SCHEMBL4065612

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Chemical structure information

SMILES:
COc1c(OC)c(=O)[nH]c2c1cccc2

InChI:
InChI=1S/C11H11NO3/c1-14-9-7-5-3-4-6-8(7)12-11(13)10(9)15-2/h3-6H,1-2H3,(H,12,13)

InChIKey:
SZUBEJQEEOURQH-UHFFFAOYSA-N

DeepSMILES:
COccOC))c=O)[nH]cc6cccc6

Functional groups:
c[nH]c, cOC, c=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccccc2[nH]1

Scaffold Graph/Node level:
OC1CCC2CCCCC2N1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Quinolones and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids, Anthranilic acid alkaloids

NP Classifier Class: Quinoline alkaloids

NP-Likeness score: 0.251

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Chemical structure download