Ecliptalbine
AlkaPlorer ID: AK087399
Synonym: None
IUPAC Name: 2-[(1R)-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]-5-methylpyridin-3-ol
Structure
SMILES: CC1=CN=C([C@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(O)=C1
InChI: InChI=1S/C27H39NO2/c1-16-13-24(30)25(28-15-16)17(2)21-7-8-22-20-6-5-18-14-19(29)9-11-26(18,3)23(20)10-12-27(21,22)4/h5,13,15,17,19-23,29-30H,6-12,14H2,1-4H3/t17-,19+,20+,21-,22+,23+,26+,27-/m1/s1
InChIKey: RODDEOSIMRCKKR-QWMOJLDXSA-N
Reference
DNA-Damaging Steroidal Alkaloids from <i>Eclipta</i> <i>alba</i> from the Suriname Rainforest
PubChem CID: 10692897
LOTUS: LTS0016493
SuperNatural Ⅲ: SN0330685-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eclipta prostrata | Eclipta | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 409.61400000000026
TPSA？: 53.35000000000001
MolLogP？: 6.139020000000008
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 | 20.0 | ug.mL-1 | 10.1021/np970561c |
| Mus musculus | M109 | IC50 | 20.0 | ug.mL-1 | 10.1021/np970561c |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 0.04 | ug ml-1 | 10.1021/np970561c |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 0.4 | ug ml-1 | 10.1021/np970561c |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IC12 | 0.7 | ug ml-1 | 10.1021/np970561c |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | 20.0 | ug.mL-1 | 10.1021/np970561c |