Gancaonin V
PubChem CID: 480817
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Gancaonin V, 134958-57-9, 8-(3-Methyl-but-2-enyl)-9,10-dihydro-phenanthrene-2,3,5,7-tetraol, 8-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,3,5,7-tetrol, DTXSID50159158, CHEBI:174997, 1-Isopentenyl-2,4,6,7-tetrahydroxy-9,10-dihydrophenanthrene, 8-(3-METHYLBUT-2-EN-1-YL)-9,10-DIHYDROPHENANTHRENE-2,3,5,7-TETROL |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Description | Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin V is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 445.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,3,5,7-tetrol |
| Prediction Hob | 1.0 |
| Class | Phenanthrenes and derivatives |
| Xlogp | 4.3 |
| Superclass | Benzenoids |
| Subclass | Hydrophenanthrenes |
| Molecular Formula | C19H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UEXOPXIMQJMWKA-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -3.281 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 3.42 |
| Synonyms | 1-Isopentenyl-2,4,6,7-tetrahydroxy-9,10-dihydrophenanthrene |
| Compound Name | Gancaonin V |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 312.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Esol | -4.771249956521739 |
| Inchi | InChI=1S/C19H20O4/c1-10(2)3-5-12-13-6-4-11-7-16(21)17(22)8-14(11)19(13)18(23)9-15(12)20/h3,7-9,20-23H,4-6H2,1-2H3 |
| Smiles | CC(=CCC1=C2CCC3=CC(=C(C=C3C2=C(C=C1O)O)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Hydrophenanthrenes |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all