| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | No |
Popular Name: Daphnetin Daphnetin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 486-35-1 , [486-35-1]
486-35-1; 7,8-dihydroxycoumarin; 78-DIHYDROXYCOUMARIN
486-35-1; 7,8-Dihydroxycoumarin; C03093; Daphnetin
7,8-Dihydroxy-2H-1-benzopyran-2-one; 7,8-dihydroxycoumarin; Daphnetol
7,8-dihydroxy-2H-chromen-2-one
7,8-Dihydroxycoumarin [486-35-1]; (Daphnetin)
| 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) | 1.25 | 1.46 | -16.23 | 2 | 4 | 0 | 71 | 178.143 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 257-261o C | Indofine |
| M.P | 265-268 C (dec.) | Indofine |
| Purity | >95% | Matrix Scientific |
| biological_use | Analgesic | IBScreen Bioactives |
| biological_use | Anticoagulant | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Antioxydant | IBScreen Bioactives IBScreen Bioactives |
| APPEARANCE | Creamy white crystalline powder | Indofine |
| Target | DNA/RNA Synthesis | Selleck Chemicals |
| UniProt Database Links | FOMT2_WHEAT | ChEBI |
| mechanism | Inhibitor of various protein kinases | IBScreen Bioactives |
| Warnings | IRRITANT | Matrix Scientific |
| biological_source | Isol. from Daphne odora and from other plants | ZereneX Building Blocks |
| SOLUBILITY | Soluble in DMF | Indofine |
| Patent Database Links | US2007191330 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR-3-E | Epidermal Growth Factor Receptor ErbB1 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 7670 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 7670 | 0.55 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive PI3K/AKT Signaling in Cancer | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| GAB1 signalosome | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| SHC1 events in EGFR signaling | |
| SHC1 events in ERBB2 signaling | |
| Signal transduction by L1 | |
| Signaling by constitutively active EGFR | |
| Signaling by EGFR | |
| Signaling by ERBB2 | |
| Signaling by ERBB4 |
No pre-computed analogs available. Try a structural similarity search.