Wilforzine
AlkaPlorer ID: AK040166
Synonym: '((8alpha)-8-(Acetyloxy)-O2-benzoyl-O2,O6-dideacetyl-8-deoxoevonimine', 'O6-Deacetylwilforine', 'Wilforzine'
IUPAC Name: [(1S,3R,15S,18S,19R,20R,21R,22S,23R,24S,25S,26S)-20,22,23-triacetyloxy-21-(acetyloxymethyl)-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
Structure
SMILES: CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@H](O)[C@@]14O[C@@]3(C)COC(=O)C1=CC=CN=C1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)C1=CC=CC=C1)[C@@H]2OC(C)=O)[C@]4(C)O
InChI: InChI=1S/C41H47NO17/c1-20-15-16-27-26(14-11-17-42-27)37(50)53-18-38(6)28-29(54-22(3)44)33(55-23(4)45)40(19-52-21(2)43)34(56-24(5)46)30(57-36(49)25-12-9-8-10-13-25)32(58-35(20)48)39(7,51)41(40,59-38)31(28)47/h8-14,17,20,28-34,47,51H,15-16,18-19H2,1-7H3/t20-,28+,29+,30-,31-,32-,33+,34-,38-,39-,40+,41-/m0/s1
InChIKey: KFDGOKBQZFYGJQ-DTGNCBEKSA-N
Reference
Sesquiterpene pyridine alkaloids from Peritassa campestris
PubChem CID: 162854760
LOTUS: LTS0241407
SuperNatural Ⅲ: SN0183949-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Peritassa campestris | Peritassa | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 825.8170000000003
TPSA？: 246.67999999999995
MolLogP？: 1.5857000000000023
Number of H-Donors: 2
Number of H-Acceptors: 18
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|