Eriobofuran
PubChem CID: 178939
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| Compound Synonyms | Eriobofuran, 97218-06-9, 2,4-dimethoxydibenzofuran-3-ol, 3-Dibenzofuranol, 2,4-dimethoxy-, GGW289WMG9, CHEBI:4829, 2,4-dimethoxydibenzo[b,d]furan-3-ol, UNII-GGW289WMG9, C08743, CHEMBL1080122, DTXSID60242782, XDA21806, 3-hydroxy-2,4-dimethoxydibenzofuran, HY-N10101, AKOS040762841, 2,4-Dimethoxy-3-dibenzofuranol, 9CI, DA-52975, CS-0255568, Q27106495, 4,6-dimethoxy-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-5-ol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 51.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Deep Smiles | COccO)cOC))ccc6occ5cccc6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Benzofurans |
| Description | Phytoalexin from the leaves of Eriobotrya japonica (loquat). Eriobofuran is found in loquat and fruits. |
| Scaffold Graph Node Level | C1CCC2C(C1)OC1CCCCC12 |
| Classyfire Subclass | Dibenzofurans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 296.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dimethoxydibenzofuran-3-ol |
| Prediction Hob | 1.0 |
| Class | Benzofurans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.3 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Dibenzofurans |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H12O4 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)oc1ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IPAVEOUAXMIIKX-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1428571428571428 |
| Logs | -4.146 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 3.068 |
| Synonyms | 2,4-Dimethoxy-3-dibenzofuranol, 9CI, 2,4-Dimethoxydibenzofuran-3-ol, 3-Hydroxy-2,4-dimethoxydibenzofuran, Eriobofuran, 2,4-Dimethoxy-3-dibenzofuranol, 9ci, eriobofuran |
| Substituent Name | Dibenzofuran, Methoxyphenol, Anisole, Alkyl aryl ether, Benzenoid, Heteroaromatic compound, Furan, Oxacycle, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Esol Class | Soluble |
| Functional Groups | cO, cOC, coc |
| Compound Name | Eriobofuran |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| 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 | -3.8042696444444437 |
| Inchi | InChI=1S/C14H12O4/c1-16-11-7-9-8-5-3-4-6-10(8)18-13(9)14(17-2)12(11)15/h3-7,15H,1-2H3 |
| Smiles | COC1=C(C(=C2C(=C1)C3=CC=CC=C3O2)OC)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dibenzofurans |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Koreana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ceratostigma Willmottianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Eriobotrya Japonica (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Pinus Resinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all