Emindole PB
AlkaPlorer ID: AK018320
Synonym: 'Emindole PB'
IUPAC Name: 2-[(3S,4aS,8S,10aR,10bS)-7,7,10b-trimethyl-8-[[1-(2-methylbut-3-en-2-yl)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)N1C=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=C21
InChI: InChI=1S/C33H47NO2/c1-9-30(2,3)34-21-22(24-12-10-11-13-27(24)34)20-23-14-15-26-25(31(23,4)5)16-17-29-33(26,8)19-18-28(36-29)32(6,7)35/h9-13,16,21,23,26,28-29,35H,1,14-15,17-20H2,2-8H3/t23-,26+,28-,29-,33-/m0/s1
InChIKey: BDIIYBDSOVLLMV-CWHSOGNVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus purpureus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 489.7440000000003
TPSA？: 34.39
MolLogP？: 7.81220000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|