4beta-Hydroxyverazine
AlkaPlorer ID: AK096519
Synonym: '(-)-4beta-Hydroxyverazine'
IUPAC Name: (3S,4R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1R)-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]phenanthrene-3,4-diol
Structure
SMILES: C[C@H]1CCC([C@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1
InChI: InChI=1S/C27H43NO2/c1-16-5-10-23(28-15-16)17(2)19-8-9-20-18-6-7-22-25(30)24(29)12-14-27(22,4)21(18)11-13-26(19,20)3/h7,16-21,24-25,29-30H,5-6,8-15H2,1-4H3/t16-,17+,18-,19+,20-,21-,24-,25+,26+,27+/m0/s1
InChIKey: BLVNKXGGFFUMSS-OSLFEGMJSA-N
Reference
DNA-Damaging Steroidal Alkaloids from <i>Eclipta</i> <i>alba</i> from the Suriname Rainforest
PubChem CID: 10740478
LOTUS: LTS0183308
SuperNatural Ⅲ: SN0029073-03
NPASS: NPC293299
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eclipta alba | Eclipta | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 413.6460000000003
TPSA？: 52.82
MolLogP？: 5.404100000000006
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 400.0 | ug.mL-1 | 10.1021/np970561c |
| Mus musculus | M109 | IC50 | 10.5 | ug.mL-1 | 10.1021/np970561c |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 10.0 | ug ml-1 | 10.1021/np970561c |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 23.0 | ug ml-1 | 10.1021/np970561c |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 24.0 | ug ml-1 | 10.1021/np970561c |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 200.0 | ug.mL-1 | 10.1021/np970561c |