(4R,12S,13R,14S,19R,21S)-11-acetyl-9-hydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.0⁴,¹².0⁴,²¹.0⁵,¹⁰.0¹³,¹⁹]docosa-5(10),6,8,17-tetraen-14-yl acetate
AlkaPlorer ID: AK106047
Synonym: None
IUPAC Name: [(4R,12S,13R,14S,19R,21S)-11-acetyl-9-hydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-14-yl] acetate
Structure
SMILES: COC1=CC=C2C(=C1O)N(C(C)=O)[C@H]1[C@@H]3[C@H](OC(C)=O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43
InChI: InChI=1S/C24H28N2O6/c1-12(27)26-20-16(4-5-17(30-3)21(20)29)24-7-8-25-11-14-6-9-31-23(32-13(2)28)19(22(24)26)15(14)10-18(24)25/h4-6,15,18-19,22-23,29H,7-11H2,1-3H3/t15-,18-,19+,22-,23-,24+/m0/s1
InChIKey: WUSIMBJXHMBCII-ZKHBPZIFSA-N
Reference
Alkaloids from Strychnos staudtii
PubChem CID: 13994708
LOTUS: LTS0098174
SuperNatural Ⅲ: SN0420539-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos staudtii | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 440.4960000000003
TPSA？: 88.53999999999999
MolLogP？: 1.9435
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|