Rhynchotechol
PubChem CID: 125585
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| Compound Synonyms | Rhynchotechol, 133086-78-9, 3,8-dihydroxy-1,2-dimethoxy-7-methylanthracene-9,10-dione, 1,6-Dihydroxy-7,8-dimethoxy-2-methyl-9,10-anthraquinone, DTXSID20157944, 9,10-Anthracenedione, 3,8-dihydroxy-1,2-dimethoxy-7-methyl-, DTXCID7080435, SCHEMBL16226004, AKOS040753756 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 93.1 |
| 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 | COcccccc6OC)))O)))C=O)ccC6=O))cO)ccc6))C |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Anthracenes |
| Scaffold Graph Node Level | OC1C2CCCCC2C(O)C2CCCCC12 |
| Classyfire Subclass | Anthraquinones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 491.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,8-dihydroxy-1,2-dimethoxy-7-methylanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H14O6 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2C(=O)c2ccccc21 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ISZGKWAWCDXIJR-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1764705882352941 |
| Logs | -4.26 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.449 |
| Synonyms | rhynchotechol |
| Esol Class | Soluble |
| Functional Groups | cC(c)=O, cO, cOC |
| Compound Name | Rhynchotechol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| 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 | -3.9453035565217394 |
| Inchi | InChI=1S/C17H14O6/c1-7-4-5-8-11(13(7)19)15(21)12-9(14(8)20)6-10(18)16(22-2)17(12)23-3/h4-6,18-19H,1-3H3 |
| Smiles | CC1=C(C2=C(C=C1)C(=O)C3=CC(=C(C(=C3C2=O)OC)OC)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 Rhynchotechum Vestitum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all