3-Aminosolanidan-23-ol; (3β,5α,22S,23S,25S)-form, N-Ac
AlkaPlorer ID: AK287426
Synonym: Solanopubamide B
IUPAC Name: N-(18-hydroxy-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-yl)acetamide
Structure
SMILES: CC(O)=NC1CCC2(C)C(CCC3C2CCC2(C)C3CC3C2C(C)C2C(O)CC(C)CN32)C1
InChI: InChI=1S/C29H48N2O2/c1-16-12-25(33)27-17(2)26-24(31(27)15-16)14-23-21-7-6-19-13-20(30-18(3)32)8-10-28(19,4)22(21)9-11-29(23,26)5/h16-17,19-27,33H,6-15H2,1-5H3,(H,30,32)
InChIKey: BGEMDFWGRZNPCG-UHFFFAOYSA-N
Reference
Solanopubamides a and b, two further steroidal alkaloids from solanum pu bescens
PubChem CID: 163090649
LOTUS: LTS0263775
COCONUT: CNP0408912.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum pubescens | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 456.7150000000002
TPSA？: 56.06000000000001
MolLogP？: 5.689800000000007
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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