UNPD50433
AlkaPlorer ID: AK047216
Synonym: None
IUPAC Name: [(1S,2S,4S,9S,10R,13S,17R)-13,17-dihydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] (Z)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(/C)C(=O)O[C@H]1CCN2C[C@@H]3[C@H](O)[C@@H](CN4C(=O)[C@@H](O)CC[C@H]34)[C@@H]2C1
InChI: InChI=1S/C20H30N2O5/c1-3-11(2)20(26)27-12-6-7-21-9-13-15-4-5-17(23)19(25)22(15)10-14(18(13)24)16(21)8-12/h3,12-18,23-24H,4-10H2,1-2H3/b11-3-/t12-,13-,14-,15+,16-,17-,18-/m0/s1
InChIKey: ATRRNWLGGVBVEO-SWXLVILASA-N
Reference
Co-occurrence of hydroxylated lupanines and their corresponding angelate esters inPearsonia species
PubChem CID: 162971387
LOTUS: LTS0198319
SuperNatural Ⅲ: SN0015147-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pearsonia cajanifolia | Pearsonia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 378.46900000000016
TPSA？: 90.31
MolLogP？: 0.3012000000000006
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|