(3S,4S,5R,6aR,10S,12R,15R,15aR,15bR)-3-benzyl-12,15-dihydroxy-4,5,10,12-tetramethyl-2H,3H,4H,5H,6aH,9H,10H,15H,15bH-cycloundeca[e]isoindole-1,6,11-trione
AlkaPlorer ID: AK318867
Synonym: None
IUPAC Name: (1R,2R,3E,5R,7S,9E,11R,13R,14S,15R,16S)-16-benzyl-2,5-dihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9-diene-6,12,18-trione
Structure
SMILES: C[C@H]1[C@H]2[C@H](CC3=CC=CC=C3)N=C(O)[C@]23[C@H](O)/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3C(=O)[C@@H]1C
InChI: InChI=1S/C28H35NO5/c1-16-9-8-12-20-24(31)18(3)17(2)23-21(15-19-10-6-5-7-11-19)29-26(33)28(20,23)22(30)13-14-27(4,34)25(16)32/h5-8,10-14,16-18,20-23,30,34H,9,15H2,1-4H3,(H,29,33)/b12-8+,14-13+/t16-,17+,18+,20-,21-,22+,23-,27+,28+/m0/s1
InChIKey: FAWYVFPVBYQAHD-KNNNDDPYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Metarhizium anisopliae | Metarhizium | Clavicipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 465.59000000000026
TPSA？: 107.19
MolLogP？: 3.474700000000002
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Oryza sativa | Oryza sativa | Activity | 94.0 | % | 10.1021/np990331t |