Lucidin ethyl ether
PubChem CID: 28578
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Lucidin ethyl ether, Ibericin, 17526-17-9, 2-(ethoxymethyl)-1,3-dihydroxyanthracene-9,10-dione, 1,3-Dihydroxy-2-ethoxymethylanthraquinone, CCRIS 1643, 2-Ethoxymethyl-1,3-dihydroxyanthraquinone, BRN 2338041, Lucidin, O-ethyl ether, 2-(Ethoxymethyl)-1,3-dihydroxy-9,10-anthracenedione, 9,10-Anthracenedione, 2-(ethoxymethyl)-1,3-dihydroxy-, DTXSID90169958, ANTHRAQUINONE, 1,3-DIHYDROXY-2-ETHOXYMETHYL-, Lucidinethylether, DTXCID6092449, SCHEMBL16227124, AKOS040752716, DA-65100, 1,3-dihydroxy-2-ethoxymethyl-anthraquinone, HY-130049, CS-0104625, Anthraquinone, 2-(ethoxymethyl)-1,3-dihydroxy-, 2-(ethoxymethyl)-1,3-dihydroxy-anthracene-9,10-dione, Anthraquinone, 2-(ethoxymethyl)-1,3-dihydroxy-(7CI,8CI), 9,10-Anthracenedione, 2-(ethoxymethyl)-1,3-dihydroxy-(9CI) |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C2CCCCC2C(C)C2CCCCC12 |
| Np Classifier Class | Anthraquinones and anthrones |
| Deep Smiles | CCOCccO)cccc6O))C=O)ccC6=O))cccc6 |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Anthracenes |
| Scaffold Graph Node Level | OC1C2CCCCC2C(O)C2CCCCC12 |
| Classyfire Subclass | Anthraquinones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(ethoxymethyl)-1,3-dihydroxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H14O5 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2C(=O)c2ccccc21 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VRARPPQMEQUQET-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1764705882352941 |
| Logs | -3.501 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.929 |
| Synonyms | 1,3-dihydroxy-2-ethoxymethyl-9,10-nthraquinone, ibericin |
| Esol Class | Soluble |
| Functional Groups | COC, cC(c)=O, cO |
| Compound Name | Lucidin ethyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.29 |
| 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 | -3.614959163636364 |
| Inchi | InChI=1S/C17H14O5/c1-2-22-8-12-13(18)7-11-14(17(12)21)16(20)10-6-4-3-5-9(10)15(11)19/h3-7,18,21H,2,8H2,1H3 |
| Smiles | CCOCC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Polycyclic aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Ingens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Knoxia Valerianoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rhamnus Nakaharai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Reference:The Ayurvedic Pharmacopoeia of India Part-1 Volume-9