Spirosol-5-ene-3,12-diol; (3β,12β,22R,25R)-form
AlkaPlorer ID: AK314059
Synonym: Solanaviol, Alkaloid SN-b
IUPAC Name: 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-10,16-diol
Structure
SMILES: CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C3(C)C1C2C
InChI: InChI=1S/C27H43NO3/c1-15-7-10-27(28-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(29)8-9-25(17,3)20(19)13-23(30)26(21,24)4/h5,15-16,18-24,28-30H,6-14H2,1-4H3
InChIKey: RQPAECNWOARMKD-UHFFFAOYSA-N
Reference
Changes caused by included enzymes in the constituents of Solanum nigrum berries.
PubChem CID: 73796887
LOTUS: LTS0133289
COCONUT: CNP0278436.2
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum aviculare | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 429.64500000000027
TPSA？: 61.72
MolLogP？: 4.257700000000003
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|