3beta,4alpha,13alpha-Trihydroxylupanine
AlkaPlorer ID: AK087482
Synonym: ''
IUPAC Name: (1S,2R,4R,5S,9S,10S,12S)-4,5,12-trihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
Structure
SMILES: O=C1[C@@H](O)[C@H](O)C[C@@H]2[C@H]3C[C@@H](CN12)[C@@H]1C[C@@H](O)CCN1C3
InChI: InChI=1S/C15H24N2O4/c18-10-1-2-16-6-8-3-9(11(16)4-10)7-17-12(8)5-13(19)14(20)15(17)21/h8-14,18-20H,1-7H2/t8-,9-,10-,11-,12+,13+,14-/m0/s1
InChIKey: FKCWQMCLWHDMHQ-YOOCBKBXSA-N
Reference
Alkaloids of ethiopian Calpurnia aurea subsp. aurea
PubChem CID: 15939845
LOTUS: LTS0034913
SuperNatural Ⅲ: SN0087889-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Calpurnia aurea | Calpurnia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 296.367
TPSA？: 84.24
MolLogP？: -1.2158999999999984
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|