UCSF

ZINC00000052

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
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]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 3.57 9.35 -66.96 0 8 -1 114 340.267 3 ↓

Vendor Notes

Note Type Comments Provided By
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

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Class C/3 (Metabotropic glutamate/pheromone receptors)
G alpha (i) signalling events

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )