(1S,9S,10R,13R,14S,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-trien-19-one
AlkaPlorer ID: AK128703
Synonym: None
IUPAC Name: (1S,9S,10R,13R,14S,21R)-8-acetyl-13,16-dimethyl-12-oxa-8,16-diazapentacyclo[8.8.3.01,9.02,7.014,21]henicosa-2,4,6-trien-19-one
Structure
SMILES: CC(=O)N1C2=CC=CC=C2[C@]23CCN(C)C[C@@H]4[C@H](CC2=O)[C@@H](CO[C@@H]4C)[C@H]13
InChI: InChI=1S/C22H28N2O3/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/h4-7,13,15-17,21H,8-12H2,1-3H3/t13-,15+,16+,17-,21+,22-/m1/s1
InChIKey: FMZMLKGLGADCPQ-FXZLKIDQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sideritis scardica | Sideritis | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Viburnum davidii | Viburnum | Adoxaceae | Dipsacales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.4770000000001
TPSA？: 49.85000000000001
MolLogP？: 2.2351
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|