(-)-Beta-narcotine
PubChem CID: 31411
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| Compound Synonyms | beta-Narcotine, L-beta-Narcotine, 3860-46-6, (-)-beta-narcotine, (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one, NCGC00016388-01, CAS-128-62-1, Spectrum_001069, Spectrum2_000987, Spectrum3_000527, Spectrum4_000456, Spectrum5_001276, Lopac-N-9007, BSPBio_002113, KBioGR_000872, KBioSS_001549, SPBio_001053, SCHEMBL7862895, CHEBI:93592, KBio2_001549, KBio2_004117, KBio2_006685, KBio3_001613, DTXSID70191919, 6035-40-1, TNP00034, TNP00110, CCG-36462, AKOS021650200, SDCCGMLS-0066644.P001, NCGC00015757-01, NCGC00015757-02, NCGC00015757-03, NCGC00015757-06, NCGC00016388-03, NCGC00017174-01, NCGC00017174-02, (3R)-3-((5R)-4-methoxy-6-methyl(5,6,7,8-tetrahydro-2H-1,3-dioxoleno[4,5-g]isoq uinolin-5-yl))-6,7-dimethoxy-3-hydroisobenzofuran-1-one, 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R-(R*,R*))-, SBI-0206692.P002, AB00053507_10, BRD-K91301684-003-02-2, BRD-K91301684-003-04-8, BRD-K91301684-003-05-5, Q27165285, (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one, 684-374-6 |
|---|---|
| Topological Polar Surface Area | 75.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 647.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P33261, P08482, P08684, P10635, P11712, Q92830, Q9NUW8 |
| Iupac Name | (3R)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one |
| Prediction Hob | 1.0 |
| Target Id | NPT213, NPT109, NPT110, NPT212 |
| Xlogp | 2.7 |
| Molecular Formula | C22H23NO7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AKNNEGZIBPJZJG-QZTJIDSGSA-N |
| Fcsp3 | 0.4090909090909091 |
| Logs | -3.822 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.557 |
| Compound Name | (-)-Beta-narcotine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 413.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 413.147 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 413.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.142541200000002 |
| Inchi | InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18-/m1/s1 |
| Smiles | CN1CCC2=CC3=C(C(=C2[C@@H]1[C@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all