None
AlkaPlorer ID: AK323906
Synonym: None
IUPAC Name: 2-[[(1S,4aS,4bS,6aS,10R,10aS,10bS,12aS)-10-hydroxy-4b,7,7,10a,12a-pentamethyl-2-methylidene-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-1-yl]methyl]guanidine
Structure
SMILES: C=C1CC[C@@H]2[C@](C)(CC[C@H]3[C@@]2(C)CC[C@H]2C(C)(C)CC[C@@H](O)[C@@]23C)[C@H]1CNC(=N)N
InChI: InChI=1S/C26H45N3O/c1-16-7-8-19-24(4,17(16)15-29-22(27)28)13-10-20-25(19,5)14-9-18-23(2,3)12-11-21(30)26(18,20)6/h17-21,30H,1,7-15H2,2-6H3,(H4,27,28,29)/t17-,18-,19+,20-,21+,24+,25-,26-/m0/s1
InChIKey: YFYZOMDKMZGTIY-SDIHUKMBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scytonema sp. | Scytonema | Scytonemataceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 415.66600000000017
TPSA？: 82.13
MolLogP？: 5.071670000000003
Number of H-Donors: 4
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Bacillus anthracis | MIC | 6000.0 | nM | 10.1021/np900288x |
| Candida albicans | Candida albicans | MIC | 4000.0 | nM | 10.1021/np900288x |
| Chlorocebus sabaeus | Vero | IC50 | 135000.0 | nM | 10.1021/np900288x |
| Escherichia coli | Escherichia coli | MIC | 30000.0 | nM | 10.1021/np900288x |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 110000.0 | nM | 10.1021/np900288x |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 2000.0 | nM | 10.1021/np900288x |