6-Hydroxy plumbagin
PubChem CID: 13468231
Connections displayed (default: 10).
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| Compound Synonyms | 22273-47-8, 6-hydroxy plumbagin, SCHEMBL1701095, CHEMBL1094243, DB-267617, 1,4-NAPHTHALENEDIONE, 5,6-DIHYDROXY-2-METHYL-, Z1509603463 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 344.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5,6-dihydroxy-2-methylnaphthalene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C11H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HWWWTOHAFWXPCB-UHFFFAOYSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -2.445 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.589 |
| Compound Name | 6-Hydroxy plumbagin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 204.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4477222 |
| Inchi | InChI=1S/C11H8O4/c1-5-4-8(13)9-6(10(5)14)2-3-7(12)11(9)15/h2-4,12,15H,1H3 |
| Smiles | CC1=CC(=O)C2=C(C1=O)C=CC(=C2O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Burnatii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aconitum Excelsum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Sedum Formosanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Triphyophyllum Peltatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all