(1S,9S,10R,13R,21R)-8-acetyl-13,16-dimethyl-12-oxa-8,16-diazapentacyclo[8.8.3.0¹,⁹.0²,⁷.0¹⁴,²¹]henicosa-2(7),3,5,14-tetraen-19-one
AlkaPlorer ID: AK576816
Synonym: None
IUPAC Name: (9S,10R,13R,14E,21R)-8-acetyl-13,16-dimethyl-12-oxa-8,16-diazapentacyclo[8.8.3.01,9.02,7.014,21]henicosa-2,4,6,14-tetraen-19-one
Structure
SMILES: CC(=O)N1C2=CC=CC=C2C23CCN(C)/C=C4/[C@@H](C)OC[C@@H]([C@H]12)[C@H]4CC3=O
InChI: InChI=1S/C22H26N2O3/c1-13-16-11-23(3)9-8-22-18-6-4-5-7-19(18)24(14(2)25)21(22)17(12-27-13)15(16)10-20(22)26/h4-7,11,13,15,17,21H,8-10,12H2,1-3H3/b16-11-/t13-,15+,17-,21+,22?/m1/s1
InChIKey: XZIACDKZDCVKKQ-UJBRFIQFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos soubrensis | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 366.4610000000001
TPSA？: 49.85
MolLogP？: 2.5028000000000006
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|