9-Methoxyellipticine
PubChem CID: 72512
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| Compound Synonyms | 9-Methoxyellipticine, 10371-86-5, 9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole, 9-Methoxyellipticin, Methoxyelliptione, Methoxyellipticine, ICI 180 base, Ellipticine, 9-methoxy-, AT 181, NSC 69187, ICIG 772, NSC69187, Methoxyellipticine, 9-, B 656501 K003, 9-Methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazole, EINECS 233-812-0, NSC-69187, BRN 0279742, 9-Methoxy-Ellipticine, UNII-U0924292N9, 6H-Pyrido(4,3-b)carbazole, 9-methoxy-5,11-dimethyl-, 6H-Pyrido[4,3-b]carbazole, 9-methoxy-5,11-dimethyl-, SMU-CX1, CHEMBL19954, 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-9-methoxy-, MLS000736760, U0924292N9, DTXSID50146028, 5-23-12-00543 (Beilstein Handbook Reference), B 656501K003, O-Methylellipticine, 9-methoxy ellipticine, Methoxy-9-ellipticine, NCIMech_000308, Neuro_000029, cid_72512, ELLIPTICINE, 9-METHOXY, SCHEMBL1005968, DTXCID6068519, CHEBI:232987, HMS2269C04, BDBM50174412, CCG-35479, HY-N12110, AKOS027323263, NCGC00246863-01, NCI60_032986, PD011431, SMR000528314, CS-0891832, NS00023257, -methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole, Q27290521, 6H-Pyrido(4,3-b)carbazole, 9-methoxy-5,11-dimethyl-(8CI), 9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole9-OCH3-E, 6H-Pyrido(4,3-b)carbazole, 9-methoxy-5,11-dimethyl-(8CI)(9CI) |
|---|---|
| Topological Polar Surface Area | 37.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 387.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10721, Q72547, P04150, Q03164, P46063, B2RXH2, P51151, P10636, P14618, P51450, Q9F4F7, Q194T2, Q07820, Q6W5P4, P10520, P06746, Q16236, P17861, Q96KQ7, P38532, P35639, Q9UIF8, Q96QE3, C4YTQ8, O95149, P39748, Q9UNA4, Q9Y253, Q63470, Q9UBT6, P84022, P11021, P32245, Q8IUX4, O75496, P35372, Q9H0H5, Q99700, P43220, Q14191, n.a., P11308, P01215, P51531, Q9NUW8, Q13148, O75874, P43351, Q03431, Q9NR56, P27695 |
| Iupac Name | 9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole |
| Prediction Hob | 1.0 |
| Class | Indoles and derivatives |
| Target Id | NPT1479, NPT249, NPT47, NPT48, NPT1038, NPT537, NPT51, NPT52, NPT1416, NPT59, NPT1274 |
| Xlogp | 4.8 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Carbazoles |
| Molecular Formula | C18H16N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BKRMCDAOAQWNTG-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.324 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.509 |
| Synonyms | 9-Methoxyellipticine lactate (1:1), 9-Methoxyellipticine lactate, 9-Methoxyellipticine hydrochloride |
| Compound Name | 9-Methoxyellipticine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 276.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -5.091449419047619 |
| Inchi | InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3 |
| Smiles | CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Carbazoles |
- 1. Outgoing r'ship
FOUND_INto/from Ochrosia Elliptica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all