| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | Yes |
Popular Name: Angelicin Angelicin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 523-50-2 , [523-50-2]
| 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 | 2.86 | -14.35 | 0 | 3 | 0 | 43 | 186.166 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | Constit. of roots and leaves of angelica (Angelica archangelica). Found in roots and on surface of parsnips and diseased celery. Also in other Angelica spp, Heracleum spp. and o | ZereneX Building Blocks |
| Purity | 95% | Fluorochem |
| UniProt Database Links | ANGS_PASSA; CP6B3_PAPPO; CP6B4_PAPGL | ChEBI |
| Target | Cytochrome P450 3A4(P08684)&Cytochrome P450 19A1(P11511) | Herbal Ingredients Targets |
| Patent Database Links | EP1364944; EP1714645; EP1952812 | ChEBI |
| biological_use | Possesses sedative props. | IBScreen Bioactives |
| mechanism | Radiosensitizer | IBScreen Bioactives |
| 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 | 2500 | 0.56 | Binding ≤ 10μM |
| Z80156-12-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #12 Of 12), Other | Other | 900 | 0.60 | Functional ≤ 10μM |
| Z80164-6-O | HT-1080 (Fibrosarcoma Cells) (cluster #6 Of 6), Other | Other | 2600 | 0.56 | Functional ≤ 10μM |
| Z80186-5-O | K562 (Erythroleukemia Cells) (cluster #5 Of 11), Other | Other | 1200 | 0.59 | Functional ≤ 10μM |
| Z80211-5-O | LoVo (Colon Adenocarcinoma Cells) (cluster #5 Of 5), Other | Other | 900 | 0.60 | Functional ≤ 10μM |
| Z80224-5-O | MCF7 (Breast Carcinoma Cells) (cluster #5 Of 14), Other | Other | 4400 | 0.54 | Functional ≤ 10μM |
| Z81072-10-O | Jurkat (Acute Leukemic T-cells) (cluster #10 Of 10), Other | Other | 900 | 0.60 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NFKB1_HUMAN | P19838 | Nuclear Factor NF-kappa-B P105 Subunit, Human | 2500 | 0.56 | Binding ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 1200 | 0.59 | Functional ≤ 10μM |
| Z80164 | Z80164 | HT-1080 (Fibrosarcoma Cells) | 2500 | 0.56 | Functional ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 1000 | 0.60 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 1000 | 0.60 | Functional ≤ 10μM |
| Z80211 | Z80211 | LoVo (Colon Adenocarcinoma Cells) | 1500 | 0.58 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 1500 | 0.58 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of NF-kappaB in B cells | |
| 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 |
No pre-computed analogs available. Try a structural similarity search.