Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID016025

Phytochemical name: Corynoxidine

Synonymous chemical names:
corynoxidine

External chemical identifiers:
CID:CID_21589010, SureChEMBL:SCHEMBL18304032

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Chemical structure information

SMILES:
COc1cc2CC[N@+]3([C@H](c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC)[O-]

InChI:
InChI=1S/C21H25NO5/c1-24-18-6-5-13-9-17-15-11-20(26-3)19(25-2)10-14(15)7-8-22(17,23)12-16(13)21(18)27-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-,22-/m0/s1

InChIKey:
QYEMUDHNCZHUKC-JTSKRJEESA-N

DeepSMILES:
COcccCC[N@+][C@H]c6cc%10OC)))))CccC6)cOC))ccc6))OC))))))))[O-]

Functional groups:
cOC, C[N@@+]([O-])(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1c3ccccc3CC[NH+]1C2

Scaffold Graph/Node level:
C1CCC2CN3CCC4CCCCC4C3CC2C1

Scaffold Graph level:
C1CCC2CC3C(CCC4CCCCC43)CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Protoberberine alkaloids and derivatives

NP-Likeness score: 1.551

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Chemical structure download