Tetrangomycin
PubChem CID: 11738774
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| Compound Synonyms | Tetrangomycin, (-)-tetrangomycin, CHEBI:32211, (3R)-3,8-dihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione, (+)-3,4-Dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(2H)-trione, (+)-3,4-dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene- 1,7,12(2H)-trione, BRN 1893000, CHEMBL1668772, Benz(a)anthracene-1,7,12(2H)-trione, 3,4-dihydro-3,8-dihydroxy-3-methyl-, (+)-, Q27114829, (3R)-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione |
|---|---|
| Topological Polar Surface Area | 91.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 599.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | (3R)-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C19H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UGEKKXLEYACFTD-LJQANCHMSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -6.374 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.535 |
| Compound Name | Tetrangomycin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 322.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7014592000000004 |
| Inchi | InChI=1S/C19H14O5/c1-19(24)7-9-5-6-11-16(14(9)13(21)8-19)18(23)10-3-2-4-12(20)15(10)17(11)22/h2-6,20,24H,7-8H2,1H3/t19-/m1/s1 |
| Smiles | C[C@]1(CC2=C(C(=O)C1)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thalictrum Dasycarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all