6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID: 10302
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| Compound Synonyms | Salsolidine, 5784-74-7, 6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline, 6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydro-isoquinoline, N-Norcarnegine, 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinoline, DTXSID20959384, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-METHYL-, (+-)-Salsolidine, 38520-68-2, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-isoquinolin, (+/-)-Salsolidine (>90%), 1-Methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, SR-01000842149, (+)-Salsolidine, MFCD00694774, Spectrum_001738, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-METHYL-, HYDROCHLORIDE, SpecPlus_000608, Prestwick0_000532, Prestwick1_000532, Prestwick2_000532, Prestwick3_000532, Spectrum2_001626, Spectrum3_001612, Spectrum4_001664, Spectrum5_000567, Oprea1_776800, Oprea1_807785, BSPBio_000543, BSPBio_003243, KBioGR_002187, KBioSS_002218, DivK1c_006704, SCHEMBL177753, SPECTRUM1504022, SPBio_001691, SPBio_002464, BPBio1_000599, CHEMBL320193, MEGxp0_001951, ACon1_002118, CHEBI:94438, KBio1_001648, KBio2_002218, KBio2_004786, KBio2_007354, KBio3_002463, DTXCID30207767, HMS3561J09, ALBB-028192, FAA78474, CCG-38746, AKOS000268900, AKOS016038394, SB37767, SDCCGMLS-0066785.P001, NCGC00017169-02, NCGC00017169-03, NCGC00017169-04, NCGC00095670-01, NCGC00095670-02, NCGC00095670-03, HY-22385, MS-23136, DB-053116, AB00052924, CS-0042225, NS00094123, E78563, EN300-186699, SR-01000842149-3, SR-01000842149-4, BRD-A75140635-001-03-8, BRD-A75140635-003-03-4, Q27166300, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-isoquinoline, 6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline #, Isoquinoline,1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl, 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinoline, 1-Methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, 6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline, N-Norcarnegine, 837-124-7 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 30.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Isoquinoline alkaloids, Tetrahydroisoquinoline alkaloids |
| Deep Smiles | COcccCC)NCCc6cc%10OC |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Tetrahydroisoquinolines |
| Scaffold Graph Node Level | C1CCC2CNCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 210.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H17NO2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCNC2 |
| Inchi Key | HMYJLVDKPJHJCF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | salsolidine |
| Esol Class | Soluble |
| Functional Groups | CNC, cOC |
| Compound Name | 6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline |
| Exact Mass | 207.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 207.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 207.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-8,13H,4-5H2,1-3H3 |
| Smiles | CC1C2=CC(=C(C=C2CCN1)OC)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
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