Naphthgeranine F
PubChem CID: 162896702
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| Compound Synonyms | Naphthgeranine F, 8,10-dihydroxy-2,5-bis(hydroxymethyl)-5-methylnaphtho[2,3-c]isochromene-7,12-dione, CHEBI:226062 |
|---|---|
| Topological Polar Surface Area | 124.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 686.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5R)-8,10-dihydroxy-2,5-bis(hydroxymethyl)-5-methylnaphtho[2,3-c]isochromene-7,12-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C20H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FVVBNLLQSDWPMI-FQEVSTJZSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.393 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.684 |
| Compound Name | Naphthgeranine F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 368.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1585030888888896 |
| Inchi | InChI=1S/C20H16O7/c1-20(8-22)13-3-2-9(7-21)4-11(13)16-17(25)12-5-10(23)6-14(24)15(12)18(26)19(16)27-20/h2-6,21-24H,7-8H2,1H3/t20-/m0/s1 |
| Smiles | C[C@@]1(C2=C(C=C(C=C2)CO)C3=C(O1)C(=O)C4=C(C3=O)C=C(C=C4O)O)CO |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leontice Smirnowii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Swertia Perennis (Plant) Rel Props:Source_db:cmaup_ingredients