Aranorosin
AlkaPlorer ID: AK026358
Synonym: 'Aranorosine', 'Aranorosin'
IUPAC Name: (2E,4E,6R)-N-[(1R,3S,3'S,5R,7S)-2'-hydroxy-6-oxospiro[4,8-dioxatricyclo[5.1.0.03,5]octane-2,5'-oxolane]-3'-yl]-4,6-dimethyldodeca-2,4-dienamide
Structure
SMILES: CCCCCC[C@@H](C)/C=C(C)/C=C/C(O)=N[C@H]1C[C@]2(OC1O)[C@@H]1O[C@@H]1C(=O)[C@@H]1O[C@@H]12
InChI: InChI=1S/C23H33NO6/c1-4-5-6-7-8-13(2)11-14(3)9-10-16(25)24-15-12-23(30-22(15)27)20-18(28-20)17(26)19-21(23)29-19/h9-11,13,15,18-22,27H,4-8,12H2,1-3H3,(H,24,25)/b10-9+,14-11+/t13-,15+,18-,19+,20-,21+,22?,23+/m1/s1
InChIKey: JHTWWPWUODMKEO-NDMFEFOCSA-N
Reference
NPASS: NPC472430
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gymnascella dankaliensis | Gymnascella | Gymnoascaceae | Onygenales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 419.51800000000014
TPSA？: 104.18
MolLogP？: 3.015500000000001
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | L5178Y | IC50 | 580.0 | nM | 10.1016/j.bmc.2014.12.068 |