(1S,2R,5S,10S,11S,13R,14R,15S)-5-(acetyloxy)-2,15-dimethyl-14-[(1S)-1-[(5S)-5-methyl-3,4,5,6-tetrahydropyridin-2-yl]ethyl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-13-yl acetate
AlkaPlorer ID: AK083981
Synonym: None
IUPAC Name: [(3S,8S,9S,10R,13S,14S,16R,17R)-16-acetyloxy-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Structure
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)[C@H]([C@H](C)C5=NC[C@@H](C)CC5)[C@@]4(C)CC[C@@H]32)C1
InChI: InChI=1S/C31H47NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-26,28-29H,7,9-17H2,1-6H3/t18-,19+,23-,24+,25-,26-,28+,29-,30-,31-/m0/s1
InChIKey: DQCWPGBLFVRMDS-NNEHPONMSA-N
Reference
Steroidal alkaloids from Solanum capsicastrum
PubChem CID: 99568693
LOTUS: LTS0157374
SuperNatural Ⅲ: SN0072459-08
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum pseudocapsicum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 497.7200000000004
TPSA？: 64.96000000000001
MolLogP？: 6.545700000000008
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|