Chrysene
| Internal ID | a6c03a14-5031-45e7-9ffb-3a67b08a4fb5 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Chrysenes |
| IUPAC Name | chrysene |
| SMILES (Canonical) | C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43 |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43 |
| InChI | InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H |
| InChI Key | WDECIBYCCFPHNR-UHFFFAOYSA-N |
| Popularity | 6,571 references in papers |
| Molecular Formula | C18H12 |
| Molecular Weight | 228.30 g/mol |
| Exact Mass | 228.093900383 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 5.70 |
| 218-01-9 |
| Benzo[a]phenanthrene |
| 1,2-Benzophenanthrene |
| 1,2-Benzphenanthrene |
| 1,2,5,6-Dibenzonaphthalene |
| Benz(a)phenanthrene |
| Benzo(a)phenanthrene |
| Chrysen |
| Benz[a]phenanthrene |
| RCRA waste number U050 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL2360 | P00492 | Hypoxanthine-guanine phosphoribosyltransferase |
8980 nM |
Ki |
PMID: 12773058
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.57% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.10% | 95.56% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 84.17% | 89.49% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Camellia sinensis |
| PubChem | 9171 |
| NPASS | NPC66270 |
| ChEMBL | CHEMBL85685 |
| LOTUS | LTS0159347 |
| wikiData | Q415465 |