| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 19 | No |
Popular Name: Chrysophanol Chrysophanol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 481-74-3 , CAS# 481-74-3 , [481-74-3]
1,8-DIHYDROXY-3-METHYL-9,10-ANTHRACENEDIONE
1,8-Dihydroxy-3-methyl-anthraquinone
1,8-Dihydroxy-3-methylanthraquinone
1,8-Dihydroxy-3-methylanthraquinone; 481-74-3; C10315; Chrysophanic acid; Chrysophanol
Chrysophanic acid (Chrysophanol)
Chrysophanol [481-74-3]; (Chrysophanic acid;1,8-dihydroxy-3-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) | 3.54 | 4.57 | -10.59 | 2 | 4 | 0 | 75 | 254.241 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | Constit. of Cassia, Rumex, Rheum, Asphodelus and Muehlenbeckia spp., etc. Also isol. from Monilinia fructicola. V. widely distributed | ZereneX Building Blocks |
| Mp [°C] | 194 - 198 | Acros Organics |
| MP | 194-198 °C | Indofine |
| Purity | 97% | Fluorochem |
| biological_use | Antimicrobial | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Cathartic agent | IBScreen Bioactives |
| Target | EGFR, mTOR | Selleck Chemicals |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| mechanism | Inhibitor of phosphoinositide- 3-kinase (PI3K)/AKT | IBScreen Bioactives IBScreen Bioactives |
| mechanism | Monoamine oxidase inhibitor | IBScreen Bioactives |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Patent Database Links | US2007191330; US2007238784; WO2007106049 | ChEBI |
| Hazard | XI: Irritant | Acros Organics |
