| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 29 | Yes |
Popular Name: FORSKOLIN FORSKOLIN
Find On: PubMed — Wikipedia — Google
CAS Numbers: 66575-29-9 , 84048-28-2 / '66575-29-9 , [66575-29-9] , [84048-28-2]
66575-29-9; C09076; Coleonol; Colforsin; Forskolin
66575-29-9; Colforsin (USAN/INN); D03584
7beta-Acetoxy-1alfa,6beta-dihydroxy-8,13-epoxy-labd-14-en-11-one
9-Deoxyforskolin from coleus forskohlii
Forskolin [66575-29-9]; (7ß-Acetoxy-8,13-epoxy-1a,6ß,9a-trihydroxylabd-14-en-11-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) | 1.71 | 4.52 | -9.24 | 3 | 7 | 0 | 113 | 410.507 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.10e+00 g/l | DrugBank-experimental |
| M.P | 230-232 C | Indofine Natural Products |
| M.P | 282-232 °C | Indofine Natural Products |
| UniProt Database Links | ADCY3_RAT; ADCY9_CHICK; ADCY9_HUMAN; ADCY9_MOUSE; CCNL1_RAT; CITE1_MOUSE; CORT_HUMAN; DUOX1_CANFA; DUOX1_HUMAN; DUOX2_HUMAN; DUOX2_PIG; DUOX2_RAT; EDF1_BOVIN; EDF1_HUMAN; EDF1_MOUSE; EDF1_RAT; F132B_MOUSE; FCOR_MOUSE; FOXO1_MOUSE; GDNF_MOUSE; GP126_DANRE | ChEBI |
| Therapy | adenylate cyclase activator, antiglaucoma | SMDC Pharmakon |
| therap | adenylate cyclase activator, antiglaucoma, hypotensive, vasodilator | MicroSource Spectrum |
| Target | cAMP | Selleck Chemicals |
| SOLUBILITY | DMSO: 5 mg/mL stable at least 6 months at room temperature | Indofine Natural Products |
| Patent Database Links | EP1074253; EP1552824; EP1568770; EP1591441; EP1659172; EP1797876; EP1978090; US2002045579; US2007190103; US2007232523; US2007232698; US2007248690; WO2006116301; WO2007091790; WO2007102162; WO2007108727; WO2007109884; WO2007123699; WO2007123872; WO20071337 | ChEBI |
| APPEARANCE | Off-white | Indofine Natural Products |
| SOLUBILITY | Soluble in Chloroform,; benzene, methanol,dichloromethane | Indofine Natural Products |
| PUBCHEM_PATENT_ID | US4902696; US5846992 | IBM Patent Data |
| APPEARANCE | White crystalline powder | Indofine Natural Products |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADCY1-1-E | Brain Adenylate Cyclase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 41 | 0.36 | Binding ≤ 10μM |
| GTR1-1-E | Solute Carrier Family 2, Facilitated Glucose Transporter Member 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.26 | Binding ≤ 10μM |
| ADCY1-2-E | Brain Adenylate Cyclase 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 500 | 0.30 | Functional ≤ 10μM |
| ADCY2-1-E | Adenylate Cyclase Type II (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.28 | Functional ≤ 10μM |
| Z100499-2-O | SARS Coronavirus (cluster #2 Of 2), Other | Other | 7500 | 0.25 | Functional ≤ 10μM |
| Z50587-5-O | Homo Sapiens (cluster #5 Of 9), Other | Other | 240 | 0.32 | Functional ≤ 10μM |
| Z50597-11-O | Rattus Norvegicus (cluster #11 Of 12), Other | Other | 240 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADCY1_BOVIN | P19754 | Adenylate Cyclase Type I, Bovin | 29 | 0.36 | Binding ≤ 1μM |
| ADCY1_HUMAN | Q08828 | Brain Adenylate Cyclase 1, Human | 150 | 0.33 | Binding ≤ 1μM |
| ADCY1_BOVIN | P19754 | Adenylate Cyclase Type I, Bovin | 29 | 0.36 | Binding ≤ 10μM |
| ADCY1_HUMAN | Q08828 | Brain Adenylate Cyclase 1, Human | 150 | 0.33 | Binding ≤ 10μM |
| GTR1_HUMAN | P11166 | Glucose Transporter, Human | 5000 | 0.26 | Binding ≤ 10μM |
| ADCY2_RAT | P26769 | Adenylate Cyclase Type II, Rat | 2000 | 0.28 | Functional ≤ 10μM |
| ADCY1_HUMAN | Q08828 | Brain Adenylate Cyclase 1, Human | 500 | 0.30 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 240 | 0.32 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 240 | 0.32 | Functional ≤ 10μM |
| Z100499 | Z100499 | SARS Coronavirus | 7500 | 0.25 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenylate cyclase activating pathway | |
| Adenylate cyclase inhibitory pathway | |
| CREB phosphorylation through the activation of Adenylate Cyclase | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| G alpha (z) signalling events | |
| Glucagon signaling in metabolic regulation | |
| Glucose transport | |
| PKA activation | |
| PKA activation in glucagon signalling | |
| Regulation of insulin secretion | |
| Vasopressin regulates renal water homeostasis via Aquaporins | |
| Vitamin C (ascorbate) metabolism |
