2,7,9-Trihydroxy-4-methyl-6,11-dioxotetracen-5-olate
PubChem CID: 90658087
Connections displayed (default: 10).
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| Compound Synonyms | Tcm D, TETRACENOMYCIN D |
|---|---|
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 576.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,7,9-trihydroxy-4-methyl-6,11-dioxotetracen-5-olate |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C19H11O6- |
| Prediction Swissadme | 0.0 |
| Inchi Key | RZKZJERAFMFNMF-UHFFFAOYSA-M |
| Fcsp3 | 0.0526315789473684 |
| Logs | -5.622 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.782 |
| Compound Name | 2,7,9-Trihydroxy-4-methyl-6,11-dioxotetracen-5-olate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 335.056 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 335.056 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 335.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.666704200000001 |
| Inchi | InChI=1S/C19H12O6/c1-7-2-9(20)3-8-4-11-16(18(24)14(7)8)19(25)15-12(17(11)23)5-10(21)6-13(15)22/h2-6,20-22,24H,1H3/p-1 |
| Smiles | CC1=CC(=CC2=CC3=C(C(=C12)[O-])C(=O)C4=C(C3=O)C=C(C=C4O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Agrimonia Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hypericum Sampsonii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Juglans Mandshurica (Plant) Rel Props:Source_db:cmaup_ingredients