7-Methoxy-6-methyl-9H-carbazol-3-ol
PubChem CID: 185895
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| Compound Synonyms | 7-Methoxy-6-methyl-9H-carbazol-3-ol, 58005-42-8, 9h-carbazol-3-ol, 7-methoxy-6-methyl-, SCHEMBL17817411, VSFAXCAPDWNRJI-UHFFFAOYSA-, DTXSID50973578, 6-hydroxy-2-methoxy-3-methylcarbazole, InChI=1/C14H13NO2/c1-8-5-10-11-6-9(16)3-4-12(11)15-13(10)7-14(8)17-2/h3-7,15-16H,1-2H3 |
|---|---|
| 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 | COccc[nH]ccc5cc9C))))cccc6))O |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCCC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 283.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-6-methyl-9H-carbazol-3-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H13NO2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VSFAXCAPDWNRJI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1428571428571428 |
| Logs | -1.973 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.494 |
| Synonyms | 2-methoxy-3-methyl-6-hydroxycarbazole(glycozolidol), glycozolidol |
| Esol Class | Soluble |
| Functional Groups | cO, cOC, c[nH]c |
| Compound Name | 7-Methoxy-6-methyl-9H-carbazol-3-ol |
| 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 |
| Lipinski Rule Of 5 | True |
| Esol | -3.872012952941177 |
| Inchi | InChI=1S/C14H13NO2/c1-8-5-10-11-6-9(16)3-4-12(11)15-13(10)7-14(8)17-2/h3-7,15-16H,1-2H3 |
| Smiles | CC1=CC2=C(C=C1OC)NC3=C2C=C(C=C3)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Hirta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Glycosmis Pentaphylla (Plant) Rel Props:Reference:ISBN:9788172360818