| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: Eugenol Eugenol
1-Allyl-4-hydroxy-3-methoxybenzene
2-methoxy-4-(prop-2-en-1-yl)phenol
4-Allyl-2-methoxyphenol; Eugenol; bmse010053
6-methyl-1,2,3,4-tetrahydroquinoline
| 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) | 2.10 | 3.62 | -5.44 | 1 | 2 | 0 | 29 | 164.204 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | Very widespread occurrence in essential oils. Major component of clove oil. Also found in those of Cinnamomum spp., Cistus spp., Camellia spp., Pelargonium spp., Thymus spp. a | ZereneX Building Blocks |
| biological_use | Antifungal agent | ZereneX Building Blocks |
| mechanism | Thromboxane antagonist | ZereneX Building Blocks |
| Melting_Point | 10? | Alfa-Aesar |
| Melting_Point | 10° | Alfa-Aesar |
| Mp [°C] | 12 | Acros Organics |
| Boiling_Point | 252-253? | Alfa-Aesar |
| Boiling_Point | 252-253° | Alfa-Aesar |
| BP [°C] | 254 | Acros Organics |
| Purity | 98 | Fluorochem |
| Therapy | analgesic (topical), antiseptic, antifungal | SMDC Pharmakon |
| UniProt Database Links | ANMT_RUTGR; CVMT1_OCIBA; EGS1_OCIBA; EOMT1_OCIBA; IEMT_CLABR; OMT1_SORBI; OMT2_SORBI; SAY1_YEAST; ST1C1_MOUSE; UD2B9_MACFA; UDB15_RAT; UDB17_HUMAN; UDB19_MACFA; UDB28_HUMAN | ChEBI |
| biological_use | Antifungal agent | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Antioxidant | IBScreen Bioactives |
| biological_use | Antiseptic | IBScreen Bioactives |
| biological_use | Dental analgesic | IBScreen Bioactives |
| Patent Database Links | EP1502586; EP1504744; EP1543830; EP1552814; EP1609461; EP1666021; EP1693057; EP1705171; EP1925311; EP1938803; EP1955718; EP1990639; GB2014030; US2002119909; US2005261242; US2007184000; US2007184114; US2007189977; US2007189978; US2007190090; US2007190177 | ChEBI |
| Target | Estrogen receptor beta(Q92731)&3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1(P14060)&Estrogen receptor(P03372)&Somatotropin(P01241)&Insulin-like growth factor 1 receptor(P08069)&Caspase-3(P42574)&Gamma-aminobutyric acid type B receptor | Herbal Ingredients Targets |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H317: May cause an allergic skin reaction | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; 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 E | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/38: Irritating to eyes and skin.; R43: May cause sensitisation by skin contact. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| mechanism | Thromboxane antagonist | IBScreen Bioactives |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.