Tetrahydroharmol
PubChem CID: 368982
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| Compound Synonyms | Tetrahydroharmol, Harmalol, dihydro-, DHR7GV467K, Tetrahydroharmol hydrochloride, 17952-75-9, UNII-DHR7GV467K, 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-ol, 1-Methyl-1H,2H,3H,4H,9H-pyrido(3,4-b)indol-7-ol, 2,3,4,9-Tetrahydro-1-methyl-1H-pyrido(3,4-b)indol-7-ol, 1H-Pyrido(3,4-b)indol-7-ol, 2,3,4,9-tetrahydro-1-methyl-, Tetrahydroharmalol hydrochloride, 1,2-Dihydroharmaline, 1-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-7-ol, CHEMBL14122, SCHEMBL8321957, AZTMWIPCEFFOJD-UHFFFAOYSA-N, CHEBI:191646, DTXSID101027096, NCI60_013482, 1,2,3,4-Tetrahydro-7-hydroxy-1-methyl-b-carboline, Q15427887, 1-Methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-7-ol #, 1-Methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-7-ol hydrochloride, 2,3,4,9-Tetrahydro-1-methyl-1H-pyrido[3,4-b]indol-7-ol, 8CI |
|---|---|
| Topological Polar Surface Area | 48.1 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-7-ol |
| Prediction Hob | 1.0 |
| Class | Harmala alkaloids |
| Xlogp | 1.5 |
| Superclass | Alkaloids and derivatives |
| Molecular Formula | C12H14N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | AZTMWIPCEFFOJD-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.353 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 1.425 |
| Synonyms | 1,2,3,4-Tetrahydro-7-hydroxy-1-methyl-b-carboline, 2,3,4,9-Tetrahydro-1-methyl-1H-pyrido[3,4-b]indol-7-ol, 8ci, Tetrahydroharmalol hydrochloride, Tetrahydroharmol hydrochloride |
| Compound Name | Tetrahydroharmol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.111 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 202.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -2.5018933999999997 |
| Inchi | InChI=1S/C12H14N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6-7,13-15H,4-5H2,1H3 |
| Smiles | CC1C2=C(CCN1)C3=C(N2)C=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Harmala alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Elaeagnus Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all