| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | Yes |
Popular Name: Psoralen Psoralen
66-97-7; C09305; Ficusin; Psoralen
66-97-7; D08450; Manaderm (TN); Psoralen; Psoralene (DCF)
7H-Furo[3,2-g][1]benzopyran-7-one Furo[3,2-g]coumarin
| 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) | 2.29 | 6.3 | -12.66 | 0 | 3 | 0 | 43 | 186.166 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | From Psoralea corylifolia, Ficus salicifolia, Heracleum leskovii, Ruta chalepensis, Dictamnus hispanicus, etc. Found in common vegetables, e.g. parsnip, celery esp. if disea | ZereneX Building Blocks |
| biological_use | . | ZereneX Building Blocks |
| M.P | 162-164C | Indofine |
| MP | 162-164o C | Indofine |
| Purity | 95% | Fluorochem |
| biological_use | An important use of psoralen is in PUVA treatment for skin problems such as psoriasis and (to a lesser extent) eczema and vitiligo. | IBScreen Bioactives |
| UniProt Database Links | ANGS_PASSA; CP6B4_PAPGL; PSO2_YEAST | ChEBI |
| Patent Database Links | EP1364944; EP1508345; EP1550454; EP1674095; EP1712557; EP1714645; EP1714646; EP1878445; EP1952812; EP1990055; US2002198370; US2005020521; US2005096315; US2005123935; US2005187203; US2005191643; US2005208534; US2005214807; US2005214810; US2005244976; US200 | ChEBI |
| mechanism | Radiosensitizer | IBScreen Bioactives |
| SOLUBILITY | Soluble in Methanol,Chloroform,Ethylacetate | Indofine |
| biological_use | This takes advantage of the high UV absorbance of psoralen | IBScreen Bioactives |
| Target | Tyrosine aminotransferase(P17735)&Interferon beta(P01574)&Thyroid peroxidase(P07202)&Nuclear factor NF-kappa-B p105 subunit(P19838) | Herbal Ingredients Targets |
| APPEARANCE | White crystalline needles | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NFKB1-1-E | Nuclear Factor NF-kappa-B P105 Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3000 | 0.55 | Binding ≤ 10μM |
| CP2A6-3-E | Cytochrome P450 2A6 (cluster #3 Of 5), Eukaryotic | Eukaryotes | 600 | 0.62 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NFKB1_HUMAN | P19838 | Nuclear Factor NF-kappa-B P105 Subunit, Human | 3000 | 0.55 | Binding ≤ 10μM |
| CP2A6_HUMAN | P11509 | Cytochrome P450 2A6, Human | 600 | 0.62 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Activation of NF-kappaB in B cells | |
| CYP2E1 reactions | |
| DEx/H-box helicases activate type I IFN and inflammatory cytokines production | |
| Downstream TCR signaling | |
| FCERI mediated NF-kB activation | |
| Interleukin-1 processing | |
| Interleukin-1 signaling | |
| NF-kB is activated and signals survival | |
| Regulated proteolysis of p75NTR | |
| RIP-mediated NFkB activation via ZBP1 | |
| Senescence-Associated Secretory Phenotype (SASP) | |
| TAK1 activates NFkB by phosphorylation and activation of IKKs complex | |
| TRAF6 mediated NF-kB activation | |
| Transcriptional regulation of white adipocyte differentiation | |
| Xenobiotics |
