UNPD102723
AlkaPlorer ID: AK492368
Synonym: None
IUPAC Name: methyl (1S,10S,11S,12Z,17S)-12-ethylidene-2-oxo-9,14-diazapentacyclo[9.5.2.01,9.03,8.014,17]octadeca-3,5,7-triene-10-carboxylate
Structure
SMILES: C/C=C1\CN2CC[C@]34C(=O)C5=CC=CC=C5N3[C@H](C(=O)OC)[C@H]1C[C@H]24
InChI: InChI=1S/C20H22N2O3/c1-3-12-11-21-9-8-20-16(21)10-14(12)17(19(24)25-2)22(20)15-7-5-4-6-13(15)18(20)23/h3-7,14,16-17H,8-11H2,1-2H3/b12-3+/t14-,16-,17-,20-/m0/s1
InChIKey: PPYARVBMTFPVQA-MAKDCJDASA-N
Reference
Alkaloids of Alstonia angustifolia
PubChem CID: 14191532
LOTUS: LTS0019389
SuperNatural Ⅲ: SN0292061-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Petchia ceylanica | Petchia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.4070000000001
TPSA？: 49.85000000000001
MolLogP？: 2.0238
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|