Norharman
PubChem CID: 64961
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| Compound Synonyms | 9H-Pyrido[3,4-B]indole, Norharman, Norharmane, 244-63-3, beta-Carboline, 2,9-Diazafluorene, Carbazoline, 9H-Beta-carboline, 2-Azacarbazole, 2H-Pyrido[3,4-b]indole, .beta.-Carboline, Nor Harmane, 9H-Pyrido(3,4-B)indole, Carbazoline (VAN), CCRIS 6915, CHEBI:109895, 244-66-6, EINECS 205-959-0, MFCD00004956, NSC 84417, BRN 0128414, 94HMA1I78O, DTXSID2021070, 244-63-3 (Free base)., beta-carboline norharman, NSC-84417, MLS000069651, CHEMBL275224, DTXCID201070, 5-23-08-00220 (Beilstein Handbook Reference), SMR000058207, norhormane, SR-01000000213, UNII-94HMA1I78O, 2-hydroxy-1,3,5,6,11,11b-hexahydroindolizino(8,7-b)indole-2-carboxylic acid, 2-hydroxy-1,3,5,6,11,11b-hexahydroindolizino[8,7-b]indole-2-carboxylic acid, Prestwick_363, Norharmane, 98%, Norharmane crystalline, Norharmane (Standard), 9H-Beta-carboline #, Norharman - free base, Norharmane, crystalline, Kinome_3628, Spectrum_001132, 9H-I(2)-Carboline, Opera_ID_1385, Spectrum2_000588, Spectrum3_000741, Spectrum4_001915, Spectrum5_000630, Epitope ID:140123, NCIOpen2_001217, SCHEMBL25834, BSPBio_002322, KBioGR_002537, KBioSS_001612, cid_64961, MLS001148623, SPBio_000436, GTPL8222, KBio2_001612, KBio2_004180, KBio2_006748, KBio3_001542, WLN: T B656 EN HMJ, HMS2233G10, HMS3369E13, BCP20998, HY-W008566R, NSC84417, (c)micro-Carboline, 2-Azacarbazole, Tox21_200083, BDBM50013811, CCG-38511, STL562246, Norharmane (9H-pyrido(3,4-b)indole, AKOS015969732, CS-W008566, FN26409, HY-W008566, SDCCGMLS-0003278.P003, SMP2_000349, NCGC00018245-01, NCGC00018245-02, NCGC00018245-03, NCGC00018245-04, NCGC00018245-05, NCGC00018245-06, NCGC00021302-03, NCGC00021302-04, NCGC00257637-01, CAS-244-63-3, DS-10932, SY050760, XN175452, DB-046456, NS00010572, P1121, VU0239493-6, C20157, Q414226, SR-01000000213-3, SR-01000000213-4, BRD-K47467075-001-02-7, BRD-K47467075-001-03-5, BRD-K47467075-001-13-4, 9H-Pyrido[3,4-b]indole, b-Carboline, 2,9-Diazafluorene, 205-959-0, NRH |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 28.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carboline alkaloids |
| Deep Smiles | cccccc6)[nH]cc5ccnc6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Indoles and derivatives |
| Description | b-Carboline (9H-pyrido[3,4-b]indole) is an organic amine that is the prototype of a class of compounds known as b-carbolines. [HMDB]. Norharman is found in chicory. |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CNCCC12 |
| Classyfire Subclass | Pyridoindoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9ES14, Q16445, O15111, P19784, P22612, Q04759, Q00535, P24941, P28593, n.a., B2RXH2, Q16637, P00352, P02791, P15428, P14902, Q96KQ7, Q96QE3, P83916, Q63470, O89049, P27338, O14920, O14965, P11309, O75496, O42275, P81908, Q9Y6L6, Q9NPD5, P27695, Q25615, P21397, Q16236, Q03181, P04792, P19838, P05412 |
| Iupac Name | 9H-pyrido[3,4-b]indole |
| Prediction Hob | 1.0 |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT982, NPT48, NPT93, NPT94, NPT151, NPT1078, NPT582, NPT981, NPT1432, NPT1265, NPT261 |
| Xlogp | 3.2 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Pyridoindoles |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H8N2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1cnccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AIFRHYZBTHREPW-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -2.591 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 2.484 |
| Synonyms | &beta, -carboline, 2-Azacarbazole, 2,9-Diazafluorene, 9H-b-Carboline, 9H-Beta-carboline, 9H-Pyrido(3,4-b)indole, 9H-Pyrido[3,4-b]indole, 9H-β-carboline, b-Carboline, beta-Carboline, Carbazoline, Carbazoline (van), Norharman, Norharmane, β-carboline, 9H-beta-Carboline, 9H-Β-carboline, Β-carboline, Norharman hydrochloride, Norhormane, 9h-pyrido[3,4-b]indole, beta-carboline, harman, nor, norharman, norharmane, β-carboline |
| Substituent Name | Beta-carboline, Indole, Benzenoid, Pyridine, Heteroaromatic compound, Pyrrole, Azacycle, Hydrocarbon derivative, Organonitrogen compound, Aromatic heteropolycyclic compound |
| Esol Class | Soluble |
| Functional Groups | c[nH]c, cnc |
| Compound Name | Norharman |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.069 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 168.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.6199338 |
| Inchi | InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H |
| Smiles | C1=CC=C2C(=C1)C3=C(N2)C=NC=C3 |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Beta carbolines |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Ailanthus Altissima (Plant) Rel Props:Reference:ISBN:9788172362089 - 2. Outgoing r'ship
FOUND_INto/from Ailanthus Triphysa (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788172360481 - 3. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Reference:ISBN:9788172361150 - 4. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Codariocalyx Motorius (Plant) Rel Props:Reference:ISBN:9770972795006 - 6. Outgoing r'ship
FOUND_INto/from Desmodium Gangeticum (Plant) Rel Props:Reference:ISBN:9788172360481 - 7. Outgoing r'ship
FOUND_INto/from Desmodium Multiflorum (Plant) Rel Props:Reference:ISBN:9770972795006 - 8. Outgoing r'ship
FOUND_INto/from Lolium Perenne (Plant) Rel Props:Reference:ISBN:9788185042138 - 9. Outgoing r'ship
FOUND_INto/from Mucuna Pruriens (Plant) Rel Props:Reference:ISBN:9788172363178 - 10. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Reference:ISBN:9788172362461; ISBN:9788185042138 - 11. Outgoing r'ship
FOUND_INto/from Peganum Harmala (Plant) Rel Props:Reference:ISBN:9788172362461 - 12. Outgoing r'ship
FOUND_INto/from Phyllodium Pulchellum (Plant) Rel Props:Reference:ISBN:9788172360481 - 13. Outgoing r'ship
FOUND_INto/from Picrasma Quassioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Strychnos Potatorum (Plant) Rel Props:Reference:ISBN:9788172361150; ISBN:9788185042145 - 17. Outgoing r'ship
FOUND_INto/from Tribulus Terrestris (Plant) Rel Props:Reference:ISBN:9780896038776