Harmol hydrochloride
PubChem CID: 94507
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| Compound Synonyms | Harmol hydrochloride, 40580-83-4, Harmol HCl, NSC 640470, EINECS 254-980-1, Harmol (hydrochloride), 7E16Y4FM83, NSC-640470, CCRIS 7890, 1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one, hydrochloride, NSC640470, 9H-Pyrido(3,4-b)indol-7-ol, 1-methyl-, hydrochloride, 1-methyl-9H-pyrido[3,4-b]indol-7-ol hydrochloride, 9H-PYRIDO(3,4-B)INDOL-7-OL, 1-METHYL-, HYDROCHLORIDE (1:1), 9H-Pyrido[3,4-b]indol-7-ol, 1-methyl-, hydrochloride (1:1), SR-01000761196, 1-Methyl-beta-carbolin-7-ol hydrochloride monohydrate, 1-Methyl-9H-beta-carbolin-7-ol hydrochloride, 487-03-6(free state), SCHEMBL647417, SPECTRUM1502237, UNII-7E16Y4FM83, CHEMBL1449575, DTXSID80933529, HMS1921N14, 40580-83-4 (free water), CCG-38714, AKOS040761816, FH65039, HY-107811A, NCGC00094972-01, NCGC00094972-02, NCGC00094972-03, AS-87046, BH175460, CS-0148640, H-1312, EN300-18532514, SR-01000761196-3, 1-Methyl-9H-pyrido[3,4-b]indol-7-ol hydrochloride monohydrate, 1-Methyl-2,9-dihydro-7H-pyrido[3,4-b]indol-7-one--hydrogen chloride (1/1) |
|---|---|
| Topological Polar Surface Area | 41.1 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 516.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one, hydrochloride |
| Prediction Hob | 1.0 |
| Molecular Formula | C12H11ClN2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RBOUBJPHXSVUTH-UHFFFAOYSA-N |
| Fcsp3 | 0.0833333333333333 |
| Logs | -3.21 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.452 |
| Compound Name | Harmol hydrochloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.056 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.056 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 234.68 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.536003200000001 |
| Inchi | InChI=1S/C12H10N2O.ClH/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12, /h2-6,13-14H,1H3, 1H |
| Smiles | CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1.Cl |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elaeagnus Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hippophae Rhamnoides (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Passiflora Edulis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Passiflora Incarnata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Thalictrum Foetidum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Trema Dielsiana (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Tribulus Terrestris (Plant) Rel Props:Source_db:cmaup_ingredients