Stephavanine
AlkaPlorer ID: AK153351
Synonym: ''
IUPAC Name: [(1S,11S,13S,14R,15S,16S)-15-hydroxy-14-methoxy-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] 4-hydroxy-3-methoxybenzoate
Structure
SMILES: COC1=CC(C(=O)O[C@H]2C[C@]34CCN[C@@]35C[C@H](O[C@@]5(OC)[C@H]2O)C2=CC3=C(C=C24)OCO3)=CC=C1O
InChI: InChI=1S/C26H27NO9/c1-31-17-7-13(3-4-16(17)28)23(30)35-21-10-24-5-6-27-25(24)11-20(36-26(25,32-2)22(21)29)14-8-18-19(9-15(14)24)34-12-33-18/h3-4,7-9,20-22,27-29H,5-6,10-12H2,1-2H3/t20-,21-,22-,24-,25-,26-/m0/s1
InChIKey: BTDVYOKUHWMJJD-UWBSNJKQSA-N
Reference
4'-O-Methylstephavanine from Stephania abyssinica
PubChem CID: 92043404
LOTUS: LTS0190986
SuperNatural Ⅲ: SN0034734-07
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stephania abyssinica | Stephania | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 497.5000000000002
TPSA？: 124.94000000000004
MolLogP？: 1.9073
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|