(15S,16S,20S)-6,7-dimethoxy-19-(methoxycarbonyl)-16-methyl-17-oxa-3,13λ⁵-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(13),2(10),4(9),5,7,11,18-heptaen-13-ylium-3-ide
AlkaPlorer ID: AK531203
Synonym: None
IUPAC Name: methyl (15S,16S,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate
Structure
SMILES: COC(=O)C1=CO[C@@H](C)[C@@H]2CN3C=CC4=C5C=C(OC)C(OC)=CC5=NC4=C3C[C@H]12
InChI: InChI=1S/C23H24N2O5/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4/h5-6,8-9,11-12,14,16H,7,10H2,1-4H3/t12-,14-,16-/m0/s1
InChIKey: TWZUULCDVYYPNU-NOLJZWGESA-N
Reference
Alcaoëdes d'Ochrosia alyxioides
PubChem CID: 441992
CAS: 41758-43-4
LOTUS: LTS0170211
SuperNatural Ⅲ: SN0362319-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ochrosia vitiensis | Ochrosia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 408.4540000000002
TPSA？: 71.81
MolLogP？: 3.4224000000000023
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|