5-Hydroxy-6-methoxy-7-phenylphenalen-1-one
PubChem CID: 85730238
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 479.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-6-methoxy-7-phenylphenalen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C20H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YBNVZTRILGRXEI-UHFFFAOYSA-N |
| Fcsp3 | 0.05 |
| Logs | -5.921 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.666 |
| Compound Name | 5-Hydroxy-6-methoxy-7-phenylphenalen-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 302.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.881822408695653 |
| Inchi | InChI=1S/C20H14O3/c1-23-20-17(22)11-13-7-10-16(21)15-9-8-14(19(20)18(13)15)12-5-3-2-4-6-12/h2-11,22H,1H3 |
| Smiles | COC1=C(C=C2C=CC(=O)C3=C2C1=C(C=C3)C4=CC=CC=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aesculus Hippocastanum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Andrographis Viscosula (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Anthocercis Albicans (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Euclea Crispa (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lindera Obtusiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Tiliacora Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Verbascum Laxum (Plant) Rel Props:Source_db:cmaup_ingredients