Summary
SMILES: COC1=CC[C@@]23[C@](C1=O)(C[C@@H](c1c3c(OC)c(cc1)OC)O)N(C)CC2InChI: InChI=1S/C20H25NO5/c1-21-10-9-19-8-7-15(25-3)18(23)20(19,21)11-13(22)12-5-6-14(24-2)17(26-4)16(12)19/h5-7,13,22H,8-11H2,1-4H3/t13-,19+,20+/m0/s1InChIKey: WOJRBUGBSKAUMI-CJMONDIMSA-N
DeepSMILES: COC=CC[C@][C@]C6=O))C[C@@H]cc6cOC))ccc6))OC))))))O)))NC)CC5
Scaffold Graph/Node/Bond level: O=C1C=CCC23CCNC12CCc1ccccc13
Scaffold Graph/Node level: OC1CCCC23CCNC12CCC1CCCCC13
Scaffold Graph level: CC1CCCC23CCCC12CCC1CCCCC13
Functional groups: CC=C(OC)C(C)=O; CN(C)C; CO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: BenzenoidsClassyFire Class: Phenanthrenes and derivatives
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Hasubanan alkaloids
Synonymous chemical names:prometaphanine
External chemical identifiers:CID:91895299; ZINC:ZINC000096023801; MolPort-035-705-743
Chemical structure download