N,O,O-Trimethylstephavanine
AlkaPlorer ID: AK053787
Synonym: ''
IUPAC Name: [(1S,11S,13S,14R,15S,16S)-14,15-dimethoxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2,4(8),9-trien-16-yl] 3,4-dimethoxybenzoate
Structure
SMILES: COC1=CC=C(C(=O)O[C@H]2C[C@]34CCN(C)[C@@]35C[C@H](O[C@@]5(OC)[C@H]2OC)C2=CC3=C(C=C24)OCO3)C=C1OC
InChI: InChI=1S/C29H33NO9/c1-30-9-8-27-13-24(38-26(31)16-6-7-19(32-2)20(10-16)33-3)25(34-4)29(35-5)28(27,30)14-23(39-29)17-11-21-22(12-18(17)27)37-15-36-21/h6-7,10-12,23-25H,8-9,13-15H2,1-5H3/t23-,24-,25-,27-,28-,29-/m0/s1
InChIKey: AJBWBBGCFSWKKH-HWWXLZSCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Protea rubropilosa | Protea | Proteaceae | Proteales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 539.5810000000002
TPSA？: 94.15000000000002
MolLogP？: 3.2066000000000017
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|