Morunigrol C
PubChem CID: 118735934
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| Compound Synonyms | Morunigrol C, CHEMBL3422851, 1174134-94-1, EX-A8959, BDBM50083074, HY-N12541, CS-0928828, 5-(7,7-dimethylfuro[3,2-g]chromen-2-yl)benzene-1,3-diol, 5-(7,7-Dimethyl-7H-furo[3,2-g][1]benzopyran-2-yl)-1,3-benzenediol |
|---|---|
| Topological Polar Surface Area | 62.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 464.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(7,7-dimethylfuro[3,2-g]chromen-2-yl)benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C19H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KIUJXFHVPMFXEJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -3.584 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.76 |
| Compound Name | Morunigrol C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 308.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.814273295652175 |
| Inchi | InChI=1S/C19H16O4/c1-19(2)4-3-11-5-12-8-16(22-17(12)10-18(11)23-19)13-6-14(20)9-15(21)7-13/h3-10,20-21H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients