In ZINC since | Heavy atoms | Benign functionality |
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October 3rd, 2005 | 25 | No |
Popular Name: Aristolochic acid Aristolochic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10190-99-5 , 107-36-8 , 313-67-7 , 67123-64-2 , [313-67-7]
"Aristolochic acid, 95% [mixture of I and II]"
313-67-7; Aristolochic acid; Aristolochic acid I; C08469
8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
8-METHOXY-6-NITROPHENANTHROL(3,4-D)-1,3-DIOXIDE-5-CARBOXYLIC ACID
8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
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 |
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Ref Reference (pH 7) | 3.57 | 9.35 | -66.96 | 0 | 8 | -1 | 114 | 340.267 | 3 | ↓ |
Note Type | Comments | Provided By |
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Molecular_Solubility | 3.905 | Bitter DB |
Mp [°C] | 260 - 265 | Acros Organics |
H phrase | H350: May cause cancer | Acros Organics |
H phrase | H350: May cause cancer; H319: Causes serious eye irritation; H331: Toxic if inhaled; H301: Toxic if swallowed; H315: Causes skin irritation; H335: May cause respiratory irritation; H341: Suspected of causing genetic defects; H311: Toxic in contact with sk | Acros Organics |
P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G | Acros Organics |
Therapy | PLA2 inhibitor | SMDC MicroSource |
UniProt Database Links | PLA2B_ARATH | ChEBI |
R phrase | R45: May cause cancer. | Acros Organics |
R phrase | R45: May cause cancer.; R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R68: Possible risks of irreversible effects. | Acros Organics |
Reactome Database Links | REACT_15538; REACT_163726; REACT_22239; REACT_22289 | ChEBI |
S phrase | S53: Avoid exposure - obtain special instructions before use. | Acros Organics |
S phrase | S53: Avoid exposure - obtain special instructions before use.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case | Acros Organics |
Hazard | T: Toxic | Acros Organics |
Description | Species |
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Class C/3 (Metabotropic glutamate/pheromone receptors) | |
G alpha (i) signalling events |