Summary
IMPPAT Phytochemical identifier: IMPHY013308
Phytochemical name: Corynoxidine
Synonymous chemical names:corynoxidine
External chemical identifiers:CID:21589010, SureChEMBL:SCHEMBL18304032
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/s1InChIKey:
QYEMUDHNCZHUKC-JTSKRJEESA-NDeepSMILES:
COcccCC[N@+][C@H]c6cc%10OC)))))CccC6)cOC))ccc6))OC))))))))[O-]Functional groups:
C[N@+](C)(C)[O-], cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1c3ccccc3CC[NH+]1C2Scaffold Graph/Node level:
C1CCC2CN3CCC4CCCCC4C3CC2C1Scaffold Graph level:
C1CCC2CC3C(CCC4CCCCC43)CC2C1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Protoberberine alkaloids and derivatives
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Protoberberine alkaloids, Isoquinoline alkaloids
NP-Likeness score: 1.551
Chemical structure download
