(+)-Launobine
PubChem CID: 5318956
Connections displayed (default: 10).
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| Compound Synonyms | Norbulbocapnine, (+)-Launobine, (+)-Launobine, , 11-Hydroxy-10-methoxy-1,2-methylenedioxynoraporphine, 17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6}.0^{8,20}.0^{14,19}]icosa-1(20),2(6),7,14,16,18-hexaen-18-ol |
|---|---|
| Topological Polar Surface Area | 60.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Description | Alkaloid from Laurus nobilis (bay laurel). Launobine is found in sweet bay and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol |
| Prediction Hob | 1.0 |
| Class | Aporphines |
| Xlogp | 2.4 |
| Superclass | Alkaloids and derivatives |
| Molecular Formula | C18H17NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JIFBCUOVFPCZEW-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.733 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.245 |
| Synonyms | (+)-Launobine, 11-Hydroxy-10-methoxy-1,2-methylenedioxynoraporphine, Launobine, Norbulbocapnine |
| Substituent Name | Aporphine, Benzylisoquinoline, Phenanthrene, Benzoquinoline, 1-naphthol, Tetrahydroisoquinoline, Quinoline, Naphthalene, Methoxyphenol, Benzodioxole, Anisole, Aralkylamine, Alkyl aryl ether, Benzenoid, Oxacycle, Azacycle, Organoheterocyclic compound, Secondary amine, Ether, Secondary aliphatic amine, Acetal, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Amine, Aromatic heteropolycyclic compound |
| Compound Name | (+)-Launobine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 311.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 311.116 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 311.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6338763565217396 |
| Inchi | InChI=1S/C18H17NO4/c1-21-12-3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17(12)20/h2-3,7,11,19-20H,4-6,8H2,1H3 |
| Smiles | COC1=C(C2=C(CC3C4=C2C5=C(C=C4CCN3)OCO5)C=C1)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lindera Umbellata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Litsea Pungens (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients