Emindole PA
AlkaPlorer ID: AK053139
Synonym: '', 'Emindole PA', 'Emindole PC'
IUPAC Name: 2-[(3R,4aS,8S,10aR,10bS)-7,7,10b-trimethyl-8-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,4a,5,8,9,10,10a-octahydro-1H-benzo[f]chromen-3-yl]propan-2-ol
Structure
SMILES: C=CC(C)(C)C1=C(C[C@@H]2CC[C@@H]3C(=CC[C@@H]4O[C@@H](C(C)(C)O)CC[C@]43C)C2(C)C)C2=CC=CC=C2N1
InChI: InChI=1S/C33H47NO2/c1-9-30(2,3)29-23(22-12-10-11-13-26(22)34-29)20-21-14-15-25-24(31(21,4)5)16-17-28-33(25,8)19-18-27(36-28)32(6,7)35/h9-13,16,21,25,27-28,34-35H,1,14-15,17-20H2,2-8H3/t21-,25+,27+,28-,33-/m0/s1
InChIKey: JVKLVZYMLNTAKF-ZJSHZNTFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus purpureus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 489.74400000000026
TPSA？: 45.25
MolLogP？: 7.881300000000009
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|