Salsoline
PubChem CID: 46695
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Salsoline, 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol, 76419-97-1, 7-Methoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-6-ol, (+,-)-Salsoline, Spectrum_001463, SpecPlus_000614, Spectrum2_000540, Spectrum3_001113, Spectrum4_001951, Spectrum5_000887, Oprea1_746478, BSPBio_002846, CBDivE_000261, KBioGR_002385, KBioSS_001943, DivK1c_006710, SPBio_000559, SCHEMBL1009940, CHEMBL1532461, KBio1_001654, KBio2_001943, KBio2_004511, KBio2_007079, KBio3_002066, 7-Methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-6-ol, DTXSID80871573, CHEBI:110170, 6-hydroxy-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline, HMS3561B13, ALBB-021366, BCP30496, CCG-38721, (-)-(S)-Salsoline, (-)-Salsoline, AKOS000277328, AKOS016038403, PS-0261, SDCCGMLS-0066795.P001, NCGC00017168-02, NCGC00095326-01, DB-017141, DB-081872, CS-0283074, EN300-186634, AJ-738/21061003, BRD-A48323445-001-02-6, BRD-A48323445-001-03-4, Q27189551, 7-Methoxy-1-methyl-1,2,3,4-tetrahydro-6-isoquinolinol #, 7-Methoxy-1-methyl-1,2,3,4-tetrahydro-6-isoquinolinol, AldrichCPR, 6-isoquinolinol, 1,2,3,4-tetrahydro-7-methoxy-1-methyl-, hydrochloride |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 41.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Isoquinoline alkaloids, Tetrahydroisoquinoline alkaloids |
| Deep Smiles | COcccCC)NCCc6cc%10O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Tetrahydroisoquinolines |
| Scaffold Graph Node Level | C1CCC2CNCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H15NO2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCNC2 |
| Inchi Key | YTPRLBGPGZHUPD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | salsoline |
| Esol Class | Soluble |
| Functional Groups | CNC, cO, cOC |
| Compound Name | Salsoline |
| Exact Mass | 193.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 193.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 193.24 |
| 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/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3 |
| Smiles | CC1C2=CC(=C(C=C2CCN1)O)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Alangium Salviifolium (Plant) Rel Props:Reference:ISBN:9788185042114 - 2. Outgoing r'ship
FOUND_INto/from Desmodium Elegans (Plant) Rel Props:Reference:ISBN:9788172360481; ISBN:9788185042084