1,2,10-Trimethoxy-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolin-9-ol
PubChem CID: 267400
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| Compound Synonyms | Laurotetanine, Laurotetanin, Litsoeine, 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolin-9-ol, 128-76-7, (+)-Laurotetanine, Litsoene, NSC 106610, Litsoeine, (+)-Laurotetanine, Compound NP-019525, SCHEMBL905125, CHEMBL4090368, CHEBI:182323, NSC106610, AKOS040738198, NCGC00385613-01, 9-Hydroxy-1,2,10-trimethoxynoraporphine, NS00097089, 6a.alpha.-Noraporphin-9-ol,2,10-trimethoxy-, 6aalpha 1,2,10-Trimethoxy--Noraporphin-9-ol, 4H-Dibenzo[de, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (S)-, NCGC00385613-01!1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-9-ol, 4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),3,5,13,15-hexaen-5-ol |
|---|---|
| Topological Polar Surface Area | 60.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Description | Alkaloid from the leaves of Peumus boldus (boldo). Laurotetanine is found in cherimoya. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol |
| Prediction Hob | 1.0 |
| Class | Aporphines |
| Xlogp | 2.6 |
| Superclass | Alkaloids and derivatives |
| Molecular Formula | C19H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GVVXPMORGFYVOO-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -0.115 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | -1.861 |
| Synonyms | (+)-Laurotetanine, 6a&alpha, -Noraporphin-9-ol, 1,2, 10-trimethoxy-, 6Aalpha 1,2,10-trimethoxy--noraporphin-9-ol, 9-Hydroxy-1,2,10-trimethoxynoraporphine, Laurotetanin, Laurotetanine, Litsoeine, Litsoene, 1,2,10-Trimethoxy-9-hydroxynoraporphine |
| Compound Name | 1,2,10-Trimethoxy-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolin-9-ol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 327.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 327.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 327.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.6671560000000007 |
| Inchi | InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3 |
| Smiles | COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Aporphines |
- 1. Outgoing r'ship
FOUND_INto/from Annona Cherimola (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cassytha Filiformis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Lindera Umbellata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Litsea Cubeba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Litsea Pungens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Piper Longum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all