Rhinacanthone
PubChem CID: 196964
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| Compound Synonyms | Rhinacanthone, 171522-36-4, 3,3-dimethyl-2,4-dihydrobenzo[h]chromene-5,6-dione, DTXSID60169127, 3,4-dihydro-3,3-dimethyl-2H-naphtho(1,2-b)pyran-5,6-dione, 3,3-dimethyl-2,4-dihydrobenzo(h)chromene-5,6-dione, CHEMBL512946, DTXCID3091618 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 445.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,3-dimethyl-2,4-dihydrobenzo[h]chromene-5,6-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GAQRLJKQPBBUSK-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -5.2 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.128 |
| Compound Name | Rhinacanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1070654666666666 |
| Inchi | InChI=1S/C15H14O3/c1-15(2)7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-8-15/h3-6H,7-8H2,1-2H3 |
| Smiles | CC1(CC2=C(C3=CC=CC=C3C(=O)C2=O)OC1)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aeonium Cuneatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lithospermum Canescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rhinacanthus Nasutus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all