Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017885

Phytochemical name: Oxoglaucine

Synonymous chemical names:
oxoglaucine

External chemical identifiers:
CID:CID_97662, ChEMBL:CHEMBL470881, ZINC:ZINC000001726300, SureChEMBL:SCHEMBL11452708, MolPort-004-955-367

---

Chemical structure information

SMILES:
COc1cc2-c3c(OC)c(OC)cc4c3c(C(=O)c2cc1OC)ncc4

InChI:
InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3

InChIKey:
ZYKCETVKVRJFGD-UHFFFAOYSA-N

DeepSMILES:
COccc-ccOC))cOC))ccc6cC=O)c%10cc%14OC))))))ncc6

Functional groups:
cOC, cC(=O)c, cnc

Link to spectral information:
MSBNK-Washington_State_Univ-BML00788, MSBNK-Washington_State_Univ-BML00799, MSBNK-Washington_State_Univ-BML00810, MSBNK-Washington_State_Univ-BML81875, MSBNK-Washington_State_Univ-BML81877

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2-c2cccc3ccnc1c23

Scaffold Graph/Node level:
OC1C2CCCCC2C2CCCC3CCNC1C32

Scaffold Graph level:
CC1C2CCCCC2C2CCCC3CCCC1C32

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 0.926

---

Chemical structure download