4-Methyl-7,11-dioxonaphtho[2,1-f][1]benzofuran-8-carboxylic acid
PubChem CID: 162935789
Connections displayed (default: 10).
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| Topological Polar Surface Area | 84.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 556.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyl-7,11-dioxonaphtho[2,1-f][1]benzofuran-8-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AUMNMDPCVBNHGN-UHFFFAOYSA-N |
| Fcsp3 | 0.0555555555555555 |
| Logs | -3.932 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.405 |
| Compound Name | 4-Methyl-7,11-dioxonaphtho[2,1-f][1]benzofuran-8-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 306.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.303801295652175 |
| Inchi | InChI=1S/C18H10O5/c1-8-3-2-4-10-9(8)5-6-11-13(10)16(20)17-14(15(11)19)12(7-23-17)18(21)22/h2-7H,1H3,(H,21,22) |
| Smiles | CC1=C2C=CC3=C(C2=CC=C1)C(=O)C4=C(C3=O)C(=CO4)C(=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amentotaxus Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Siversiana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Camptothecium Lutescens (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Deguelia Hatschbachii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Delphinium Cyphoplectrum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Dioscorea Communis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Euphorbia Retusa (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Notholaena Dealbata (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Salvia Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Stauntonia Obovatifoliola (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Uvaria Klaineana (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Viburnum Sieboldi (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Vicia Sativa (Plant) Rel Props:Source_db:cmaup_ingredients