| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 18 | Yes |
Popular Name: 7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one 7-methoxy-8-(3-methyl-2-buten-1-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 484-12-8 , 8/12/484 , [484-12-8]
7-Methoxy-8-(3-methyl-2-butenyl)coumarin
7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one
| 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) | 3.83 | 8.76 | -13.07 | 0 | 3 | 0 | 39 | 244.29 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | Isol. from Imperatoria ostruthium, Choisya spp., Seseli sibiricum, Prangos bucharica and Peucedanum hispanicum | ZereneX Building Blocks |
| mechanism | . | ZereneX Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| biological_use | Analeptic | IBScreen Bioactives |
| mechanism | Calcium blocking | IBScreen Bioactives |
| Therapy | cell proliferation and differentiation stimulant | SMDC MicroSource |
| PUBCHEM_PATENT_ID | EP0201214A2; EP0201214B1; EP0455769A1; EP0455769B1; US4923894; WO1998051319A1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| mechanism | Modulates TRH-evoked responses by interacting with the TRH receptor | IBScreen Bioactives IBScreen Bioactives |
| Target | Others | Selleck Chemicals |
| Target | Tumor necrosis factor(P01375)&Interleukin-10(P22301)&Prostaglandin G/H synthase 2(P35354) | Herbal Ingredients Targets |
| Target | Tumor necrosis factor(P01375)&Myeloperoxidase(P05164) | Herbal Ingredients Targets |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| XPO1-1-E | Exportin-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1600 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| XPO1_HUMAN | O14980 | Exportin-1, Human | 1600 | 0.45 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Cyclin A/B1 associated events during G2/M transition | |
| deactivation of the beta-catenin transactivating complex | |
| Downregulation of TGF-beta receptor signaling | |
| HuR stabilizes mRNA | |
| Mitotic Prometaphase | |
| NEP/NS2 Interacts with the Cellular Export Machinery | |
| Resolution of Sister Chromatid Cohesion | |
| Rev-mediated nuclear export of HIV RNA | |
| Separation of Sister Chromatids |
No pre-computed analogs available. Try a structural similarity search.
