Rubrobramide
AlkaPlorer ID: AK100611
Synonym: 'Rubrobramide'
IUPAC Name: (1R,4S,7R,8R)-4-hydroxy-1-methyl-7-(2-methylpropyl)-9,10-dioxa-6-azatricyclo[5.2.1.04,8]decane-3,5-dione
Structure
SMILES: CC(C)C[C@]12N=C(O)[C@@]3(O)C(=O)C[C@](C)(O[C@H]31)O2
InChI: InChI=1S/C12H17NO5/c1-6(2)4-11-8-12(16,9(15)13-11)7(14)5-10(3,17-8)18-11/h6,8,16H,4-5H2,1-3H3,(H,13,15)/t8-,10+,11+,12+/m0/s1
InChIKey: DDXFYNDEHYHXPW-JTLRNRKASA-N
Reference
Rubrobramide, a Cytotoxic and Phytotoxic Metabolite from <i>Cladobotryum rubrobrunnescens</i>
PubChem CID: 3081358
CAS: 205386-57-8
LOTUS: LTS0271774
NPASS: NPC474952
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cladobotryum rubrobrunnescens | Cladobotryum | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 255.26999999999995
TPSA？: 88.35000000000002
MolLogP？: 0.5344
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | Activity | nan | None | 10.1021/np9704967 |
| Lepidium sativum | Lepidium sativum | Activity | 50.0 | % | 10.1021/np9704967 |
| Meloidogyne incognita | Meloidogyne incognita | Activity | nan | None | 10.1021/np9704967 |
| Mus musculus | L1210 | Activity | 50.0 | % | 10.1021/np9704967 |
| Setaria italica | Setaria italica | Activity | 50.0 | % | 10.1021/np9704967 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/np9704967 |