(+/-)-Armepavine
PubChem CID: 98348
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| Compound Synonyms | Armepavine, 5884-67-3, (+/-)-armepavine, D,L-Armepavine, Armepavine, (+/-)-, MLS000110731, CHEMBL451722, 8A0GW472W3, (+-)-Armepavine, 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol, (2,3,5,6-tetrabromobenzene-1,4-diyl)dimethanediyl diacetate, SMR000106660, Phenol, 4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-, (+-)-, 4-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenol, UNII-8A0GW472W3, ()-Armepavine, 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol, R-(-)-Armepavine, (+/-) Armepavine, DL-ARMEPAVINE, Opera_ID_467, Oprea1_071832, Oprea1_262594, SCHEMBL1389166, ZBKFZIUKXTWQTP-UHFFFAOYSA-, DTXSID50955773, 4-[[(1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinolin-1-yl]methyl]phenol, HMS1681O19, HMS2536C05, BDBM50478474, CCG-18658, NSC110381, STL560631, AKOS000591122, AKOS025149602, 3423-14-1, DS-014698, UNM000011056201, AB00290354-10, AE-508/21132006, AJ-292/21168056, SR-01000467236, SR-01000467236-1, Q27270078, (+/-) Phenol, 4-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]-, Phenol,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]-, (R)-, InChI=1/C19H23NO3/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3, P-CRESOL, .ALPHA.-(1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-ISOQUINOLYL)-, (+/-)-, PHENOL, 4-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-ISOQUINOLINYL)METHYL)-, (+/-)- |
|---|---|
| Topological Polar Surface Area | 41.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 370.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P43140, P27732, B2RXH2, P00352, P16050, Q99714, Q96KQ7, P84022, O94925 |
| Iupac Name | 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol |
| Prediction Hob | 1.0 |
| Class | Isoquinolines and derivatives |
| Target Id | NPT48, NPT94, NPT792, NPT149 |
| Xlogp | 3.4 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Benzylisoquinolines |
| Molecular Formula | C19H23NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZBKFZIUKXTWQTP-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -1.964 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.942 |
| Synonyms | D, L-Armepavine, Armepavine, Armepavine, (+-)-isomer, Armepavine, (R)-isomer, Armepavine, (S)-isomer |
| Compound Name | (+/-)-Armepavine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 313.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 313.168 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 313.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -4.028248356521739 |
| Inchi | InChI=1S/C19H23NO3/c1-20-9-8-14-11-18(22-2)19(23-3)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17,21H,8-10H2,1-3H3 |
| Smiles | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Benzylisoquinolines |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Papaver Caucasicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Papaver Persicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Rhamnus Frangula (Plant) Rel Props:Source_db:npass_chem_all