Dihydroxyisoechinulin A
AlkaPlorer ID: AK052824
Synonym: None
IUPAC Name: (3Z,6S)-3-[[5-[(2R)-2,3-dihydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione
Structure
SMILES: C=CC(C)(C)C1=C(/C=C2\N=C(O)[C@H](C)N=C2O)C2=CC(C[C@@H](O)C(C)(C)O)=CC=C2N1
InChI: InChI=1S/C24H31N3O4/c1-7-23(3,4)20-16(12-18-22(30)25-13(2)21(29)27-18)15-10-14(8-9-17(15)26-20)11-19(28)24(5,6)31/h7-10,12-13,19,26,28,31H,1,11H2,2-6H3,(H,25,30)(H,27,29)/b18-12-/t13-,19+/m0/s1
InChIKey: ICDCJXUIMDWCFI-RKFKHAPCSA-N
Reference
Isoechinulin-type Alkaloids, Variecolorins A–L, from Halotolerant Aspergillus variecolor
PubChem CID: 10071070
LOTUS: LTS0048652
NPASS: NPC270009
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Eurotium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Eurotium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 425.52900000000017
TPSA？: 121.43
MolLogP？: 3.961800000000002
Number of H-Donors: 5
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | LD50 | 15.2 | uM | 10.1021/np5007839 |
| Vibrio alginolyticus | Vibrio alginolyticus | MIC | 16.0 | ug.mL-1 | 10.1021/np5007839 |
| None | No relevant target | IC50 | 79000.0 | nM | 10.1021/np070208z |