Koenigine
PubChem CID: 5318825
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| Compound Synonyms | Koenigine, 28513-33-9, 8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol, 3,11-Dihydro-8-methoxy-3,3,5-trimethylpyrano[3,2-a]carbazol-9-ol, Kenigine, CHEBI:168437, DTXSID301170207, DBA51333, AKOS040763243, 3,11-Dihydro-8-methoxy-3,3,5-trimethylpyrano[3,2-a]carbazol-9-ol, 9CI, 13-methoxy-5,5,8-trimethyl-6-oxa-17-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1,3,7,9,11,13,15-heptaen-14-ol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 54.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1C3CCCCC3CCC21 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | COcccccc6O)))[nH]cc5ccC)cc6C=CCO6)C)C |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1C3CCCOC3CCC21 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 491.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol |
| Prediction Hob | 1.0 |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.3 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Carbazoles |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H19NO3 |
| Scaffold Graph Node Bond Level | C1=Cc2c(ccc3c2[nH]c2ccccc23)OC1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CZZZOTXCAIDYOZ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.2631578947368421 |
| Logs | -3.448 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 4.269 |
| Synonyms | 3,11-Dihydro-8-methoxy-3,3,5-trimethylpyrano[3,2-a]carbazol-9-ol, 9ci, Kenigine, Lanosulin, koenigine |
| Esol Class | Moderately soluble |
| Functional Groups | cC=CC, cO, cOC, c[nH]c |
| Compound Name | Koenigine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 309.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 309.136 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 309.4 |
| 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 | -4.813023869565217 |
| Inchi | InChI=1S/C19H19NO3/c1-10-7-13-12-8-16(22-4)15(21)9-14(12)20-17(13)11-5-6-19(2,3)23-18(10)11/h5-9,20-21H,1-4H3 |
| Smiles | CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=CC(=C(C=C42)OC)O |
| Nring | 4.0 |
| 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 Aerva Koenigii (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Bergera Koenigii (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Murraya Alata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Murraya Crenulata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Murraya Elongata (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Murraya Euchrestifolia (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Murraya Exotica (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Murraya Kwangsiensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Murraya Microphylla (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Murraya Siamensis (Plant) Rel Props:Reference: