Summary

IMPPAT Phytochemical identifier: IMPHY013143

Phytochemical name: Honyumine

Synonymous chemical names:
honyumine

External chemical identifiers:
CID:13965865, ChEBI:174756, ZINC:ZINC000085953806, FDASRS:SJW3UM0K3D

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Chemical structure information

SMILES:
COc1c(O)ccc2c1n(C)c1c(c2=O)c(O)c2c(c1)OC(C=C2)(C)C

InChI:
InChI=1S/C20H19NO5/c1-20(2)8-7-10-14(26-20)9-12-15(17(10)23)18(24)11-5-6-13(22)19(25-4)16(11)21(12)3/h5-9,22-23H,1-4H3

InChIKey:
DCEKPLXGLUMXMB-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6nC)ccc6=O))cO)ccc6)OCC=C6))C)C

Functional groups:
c=O, cC=CC, cO, cOC, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2cc3c(cc12)C=CCO3

Scaffold Graph/Node level:
OC1C2CCCCC2NC2CC3OCCCC3CC21

Scaffold Graph level:
CC1C2CCCCC2CC2CC3CCCCC3CC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Acridone alkaloids

NP-Likeness score: 2.13

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Chemical structure download