(1-methoxy-9H-carbazol-3-yl)methanol
PubChem CID: 375152
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| Compound Synonyms | Koenoline, (1-methoxy-9H-carbazol-3-yl)methanol, 3909-78-2, NSC654286, CHEMBL503498, SCHEMBL6052281, CHEBI:171730, KNKVHLASDDREQS-UHFFFAOYSA-N, DTXSID201300562, 1-me-thoxy-3-hydroxymethylcarbazole, 1-Methoxy-9H-carbazole-3-methanol, 9H-Carbazole-3-methanol, 1-methoxy-, NSC-654286, 1-Methoxy-9H-carbazole-3-methanol, 9CI, NCI60_018850 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 45.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | COcccCO))ccc6[nH]cc5cccc6 |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Indoles and derivatives |
| Description | Alkaloid from the root bark of Murraya koenigii (curryleaf tree). Koenoline is found in herbs and spices. |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCCC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1-methoxy-9H-carbazol-3-yl)methanol |
| Prediction Hob | 1.0 |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.5 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Carbazoles |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H13NO2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KNKVHLASDDREQS-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.402 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 2.794 |
| Synonyms | 1-Methoxy-9H-carbazole-3-methanol, 9CI, Koenoline, 1-Methoxy-9H-carbazole-3-methanol, 9ci, koenoline |
| Esol Class | Soluble |
| Functional Groups | CO, cOC, c[nH]c |
| Compound Name | (1-methoxy-9H-carbazol-3-yl)methanol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 227.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 227.095 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 227.26 |
| 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 | -3.2390129529411764 |
| Inchi | InChI=1S/C14H13NO2/c1-17-13-7-9(8-16)6-11-10-4-2-3-5-12(10)15-14(11)13/h2-7,15-16H,8H2,1H3 |
| Smiles | COC1=CC(=CC2=C1NC3=CC=CC=C32)CO |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Carbazoles |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Euchrestifolia (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Murraya Alata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Murraya Crenulata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Murraya Elongata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Murraya Euchrestifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Murraya Exotica (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9788185042145 - 8. Outgoing r'ship
FOUND_INto/from Murraya Kwangsiensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Murraya Microphylla (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Reference:ISBN:9788185042145 - 11. Outgoing r'ship
FOUND_INto/from Murraya Siamensis (Plant) Rel Props:Reference: