| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2010 | 23 | Yes |
Popular Name: Monocrotaline Monocrotaline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 315-22-0 , [315-22-0]
(13a,14a)-14,19-Dihydro-12,13-dihydroxy-20-norcrotolanan-11,15-dione
315-22-0; C10350; Monocrotaline
| 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 |
|---|
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | Alkaloid from Crotalaria retusa, Crotalaria spectabilis, Crotalaria aegyptiaca, Crotalaria burhia and Lindelofia spectabilis (Leguminosae, Boraginaceae) | ZereneX Building Blocks |
| mechanism | . | ZereneX Building Blocks |
| MP | 197-198° | Oakwood Chemical |
| MP | 197-201° | Oakwood Chemical |
| Purity | 99% | Fluorochem |
| Purity | 99.9% | Fluorochem |
| Purity | >99% | Fluorochem |
| biological_use | Antineoplastic activity esp. vs. adenocarcinoma | IBScreen Bioactives |
| Therapy | antineoplastic, insect sterilant | SMDC Iconix |
| mechanism | Causes denudation of the hepatic sinusoidal endothelium and increased serum hyaluronic acid levels, along with superior transplanted cell engraftment | IBScreen Bioactives |
| Patent Database Links | EP1808172; WO2007132190 | ChEBI |
| UniProt Database Links | GOSR1_BOVIN; GOSR1_HUMAN; SNO1_TYRJA | ChEBI |
| biological_use | Hepatotoxin | IBScreen Bioactives ZereneX Building Blocks |
| biological_use | Male insect sterilant | IBScreen Bioactives |
No pre-computed analogs available. Try a structural similarity search.