25beta-Hydroxyverazine
AlkaPlorer ID: AK048047
Synonym: '(-)-25beta-Hydroxyverazine'
IUPAC Name: (3R)-6-[(1S)-1-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-methyl-4,5-dihydro-2H-pyridin-3-ol
Structure
SMILES: C[C@H](C1=NC[C@](C)(O)CC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI: InChI=1S/C27H43NO2/c1-17(24-11-12-25(2,30)16-28-24)21-7-8-22-20-6-5-18-15-19(29)9-13-26(18,3)23(20)10-14-27(21,22)4/h5,17,19-23,29-30H,6-16H2,1-4H3/t17-,19-,20-,21+,22-,23-,25+,26-,27+/m0/s1
InChIKey: YCTLKNVWQFQYLE-RRKPGTBZSA-N
Reference
DNA-Damaging Steroidal Alkaloids from <i>Eclipta</i> <i>alba</i> from the Suriname Rainforest
PubChem CID: 10549683
LOTUS: LTS0092680
SuperNatural Ⅲ: SN0446812-03
NPASS: NPC240650
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？: 52.82000000000001
MolLogP？: 5.548200000000006
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 | 3.1 | ug.mL-1 | 10.1021/np970561c |
| Mus musculus | M109 | IC50 | 31.2 | ug.mL-1 | 10.1021/np970561c |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 0.35 | ug ml-1 | 10.1021/np970561c |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 2.5 | ug ml-1 | 10.1021/np970561c |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 4.0 | ug ml-1 | 10.1021/np970561c |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 6.25 | ug.mL-1 | 10.1021/np970561c |