Graphislactone A
PubChem CID: 11278036
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| Compound Synonyms | Graphislactone A, 52179-44-9, 4,7-DIHYDROXY-3,9-DIMETHOXY-1-METHYLBENZO[C]CHROMEN-6-ONE, Graphislactone S1, MEGxm0_000306, CHEMBL3962535, ACon0_001044, ACon1_000886, CHEBI:199624, AKOS040754716, NCGC00169263-01, BRD-K65399106-001-01-4, 4,7-dihydroxy-3,9-dimethoxy-1-methyl-6h-benzo(2,1-c)chromen-6-one, 4,7-DIHYDROXY-3,9-DIMETHOXY-1-METHYL-6H-BENZO[C]CHROMEN-6-ONE |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 427.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SMKUDZVEVLDBSV-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.273 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.32 |
| Compound Name | Graphislactone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 302.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.358857490909091 |
| Inchi | InChI=1S/C16H14O6/c1-7-4-11(21-3)14(18)15-12(7)9-5-8(20-2)6-10(17)13(9)16(19)22-15/h4-6,17-18H,1-3H3 |
| Smiles | CC1=CC(=C(C2=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Maytenus Mossambicensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pinellia Pedatisecta (Plant) Rel Props:Source_db:cmaup_ingredients