| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 16 | No |
Popular Name: Anthraquinone Anthraquinone
84-65-1; 9,10-Anthraquinone; Anthraquinone; C16207
9,10-dihydro-9,10-dioxoanthracene
9,10-dihydroanthracene-9,10-dione
9,10-quinone; Az-Q; anthradione
Physcion [521-61-9]; (1,8-Dihydroxy-3-methoxy-6-methylanthraquinone)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.67 | 7.32 | -7.86 | 0 | 2 | 0 | 34 | 208.216 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 196-206°C | Indofine |
| MP | 198-203o C | Indofine |
| Mp [°C] | 283 - 288 | Acros Organics |
| Melting_Point | 283-287? | Alfa-Aesar |
| Melting_Point | 283-287° | Alfa-Aesar |
| MP | 284 - 286 | Enamine Building Blocks |
| MP | 284-286 °C(lit.) | Indofine |
| MP | 284...286 | Enamine Building Blocks |
| Boiling_Point | 377? | Alfa-Aesar |
| Boiling_Point | 377° | Alfa-Aesar |
| BP [°C] | 379 - 381 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| UniProt Database Links | DNRD_STRPE; DYP_THEFY | ChEBI |
| Patent Database Links | EP0805188; EP0819683; EP0894832; EP1083176; EP1202120; EP1344778; EP1403219; EP1403709; EP1568379; EP1707187; EP1707188; EP1731609; EP1739135; EP1749540; EP1810659; EP1820536; EP1820537; EP1825883; EP1852104; EP1892240; EP1915984; EP1920761; EP1952817; GB | ChEBI |
| H phrase | H317: May cause an allergic skin reaction | Acros Organics |
| SOLUBILITY | Hygroscopic | Indofine |
| Therapy | irritant | SMDC MicroSource |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear eye protection/face protection | Acros Organics |
| R phrase | R20/21: Harmful by inhalation and in contact with skin. | Acros Organics |
| R phrase | R43: May cause sensitisation by skin contact. | Acros Organics |
| S phrase | S24: Avoid contact with skin. | Acros Organics |
| SOLUBILITY | Soluble in Hexane/methylene chloride | Indofine |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MPIP2-1-E | Dual Specificity Phosphatase Cdc25B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9510 | 0.44 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 5000 | 0.46 | Functional ≤ 10μM |
| Z81034-3-O | A2780 (Ovarian Carcinoma Cells) (cluster #3 Of 10), Other | Other | 580 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MPIP2_HUMAN | P30305 | Dual Specificity Phosphatase Cdc25B, Human | 9510 | 0.44 | Binding ≤ 10μM |
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 580 | 0.55 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 5000 | 0.46 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin A:Cdk2-associated events at S phase entry | |
| Cyclin B2 mediated events |
No pre-computed analogs available. Try a structural similarity search.