Solaspiralidine
AlkaPlorer ID: AK074958
Synonym: ''
IUPAC Name: (2R)-2-[(3S,8S,9S,10R,13S,14S,16R,17R)-3,16-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-[(3S)-3-methyl-3,4-dihydro-2H-pyrrol-5-yl]propan-1-one
Structure
SMILES: C[C@@H]1CN=C(C(=O)[C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1
InChI: InChI=1S/C27H41NO3/c1-15-11-22(28-14-15)25(31)16(2)24-23(30)13-21-19-6-5-17-12-18(29)7-9-26(17,3)20(19)8-10-27(21,24)4/h5,15-16,18-21,23-24,29-30H,6-14H2,1-4H3/t15-,16+,18-,19+,20-,21-,23+,24-,26-,27-/m0/s1
InChIKey: OENGBQNNEVGXFX-YBMSBAGSSA-N
Reference
Steroidal alkaloids from roots of Solanum spirale
PubChem CID: 162848099
LOTUS: LTS0177109
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum spirale | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 427.6290000000004
TPSA？: 69.89
MolLogP？: 4.583100000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|