Summary
IMPPAT Phytochemical identifier: IMPHY011514
Phytochemical name: Tetrahydropalmatine
Synonymous chemical names:(-)-tetrahydropalmatine, gindarine, hyndarine, rotundine, tetrahydropalmatine, tetrahydropalmitine
External chemical identifiers:CID:72301, ChEMBL:CHEMBL487182, ChEBI:16563, ZINC:ZINC000019535049, FDASRS:3X69CO5I79, SureChEMBL:SCHEMBL230850, MolPort-000-881-202
Chemical structure information
SMILES:
COc1cc2CCN3[C@H](c2cc1OC)Cc1c(C3)c(OC)c(cc1)OCInChI:
InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m0/s1InChIKey:
AEQDJSLRWYMAQI-KRWDZBQOSA-NDeepSMILES:
COcccCCN[C@H]c6cc%10OC)))))CccC6)cOC))ccc6))OCFunctional groups:
CN(C)C, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1c3ccccc3CCN1C2Scaffold 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: Isoquinoline alkaloids, Protoberberine alkaloids
NP-Likeness score: 0.866
Chemical structure download