adenosine
AlkaPlorer ID: AK001256
Synonym: 'Vidarabine', '', 'Adenosin', '58-61-7', '.beta.-Adenosine', '(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol', 'ADENOSINE', '5536-17-4', 'beta-D-Adenosine', 'Ado', 'Nucleocardyl', 'Sandesin', '3080-29-3', '.beta.-D-Adenosine', '6-Amino-9-beta-D-ribofuranosyl-9H-purine', 'MLSMR', 'MLS006011831', 'SMR000225041', 'Ade-Rib', 'Adenosine', '9-beta-D-ribofuranosyl-9H-purin-6-amine', '9-beta-D-Ribofuranosidoadenine', 'Desoxyadenosine', 'Adenyldeoxyriboside', '2006-02-2', 'Deoxyadenosine', '9-beta-D-Ribofuranosyl-9H-purin-6-amine', 'Boniton', 'adenosine', 'Adenine riboside', 'Usaf cb-10', '24356-66-9', 'Adenine Deoxyribonucleoside', 'Adenine nucleoside', 'Myocol', 'MLS000699527'
IUPAC Name: (2R,3S,4R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Structure
SMILES: NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10+/m0/s1
InChIKey: OIRDTQYFTABQOQ-SXVXDFOESA-N
Reference
Vasorelaxing Alkaloids and Flavonoids from<i>Cassytha filiformis</i>
PubChem CID: 448378
LOTUS: LTS0178532
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthus ilicifolius | Acanthus | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 267.245
TPSA？: 139.54000000000002
MolLogP？: -1.9800000000000009
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 1A2 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 39810.7 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | nan | None | None |
| Homo sapiens | Hypoxia-inducible factor 1 alpha | Potency | 25118.9 | nM | None |
| Homo sapiens | MAP kinase ERK2 | Potency | 7943.3 | nM | None |
| Homo sapiens | Nuclear factor NF-kappa-B p105 subunit | Potency | 4466.8 | nM | None |
| Homo sapiens | Signal transducer and activator of transcription 6 | Potency | 0.03162 | nM | None |
| Homo sapiens | Thyroid stimulating hormone receptor | Potency | 25118.9 | nM | None |