3,4-Dihydro-3,3-dimethyl-2H-naphtho(2,3-b)pyran-5,10-dione
PubChem CID: 178515
Connections displayed (default: 10).
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| Compound Synonyms | NSC662425, 138779-63-2, NSC 662425, U0UD40MVH3, NSC-662425, 3,4-Dihydro-3,3-dimethyl-2H-naphtho(2,3-b)pyran-5,10-dione, 3,4-dihydro-3,3-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione, 2H-Naphtho(2,3-b)pyran-5,10-dione, 3,4-dihydro-3,3-dimethyl-, Naphthopyran der., 3,3-dimethyl-2,4-dihydrobenzo[g]chromene-5,10-dione, UNII-U0UD40MVH3, CHEMBL511007, DTXSID10160780, NCI60_021615, 3,3-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione |
|---|---|
| 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[g]chromene-5,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ULXYWPKYMYLJBG-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.201 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.221 |
| Compound Name | 3,4-Dihydro-3,3-dimethyl-2H-naphtho(2,3-b)pyran-5,10-dione |
| 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 | -3.3905654666666663 |
| Inchi | InChI=1S/C15H14O3/c1-15(2)7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-8-15/h3-6H,7-8H2,1-2H3 |
| Smiles | CC1(CC2=C(C(=O)C3=CC=CC=C3C2=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 Cicer Cuneatum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Codonopsis Canescens (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Cousinia Canescens (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Culcitium Canescens (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Erysimum Canescens (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Erythroxylum Cuneatum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Helianthus Canescens (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Heracleum Canescens (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Hibiscus Canescens (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Lithospermum Canescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Lithospermum Erythrorhizon (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Lithospermum Officinale (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Lithospermum Ruderale (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Nelsonia Canescens (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Pterospermum Canescens (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Rauvolfia Canescens (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Rhinacanthus Nasuta (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Rhinacanthus Nasutus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Sesamoides Canescens (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Spiraea Canescens (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Uncaria Canescens (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Viola Canescens (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Wikstroemia Canescens (Plant) Rel Props:Reference: