(6aR,12aR)-9,12a-dihydroxy-3-methoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one
PubChem CID: 10757612
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL453008 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | CLKLDTHVJNABQP-NVXWUHKLSA-N |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Compound Name | (6aR,12aR)-9,12a-dihydroxy-3-methoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 314.079 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 482.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6aR,12aR)-9,12a-dihydroxy-3-methoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one |
| Total Atom Stereocenter Count | 2.0 |
| Nih Violation | False |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C17H14O6/c1-21-10-3-5-12-14(7-10)22-8-15-17(12,20)16(19)11-4-2-9(18)6-13(11)23-15/h2-7,15,18,20H,8H2,1H3/t15-,17-/m1/s1 |
| Smiles | COC1=CC2=C(C=C1)[C@]3([C@@H](CO2)OC4=C(C3=O)C=CC(=C4)O)O |
| Xlogp | 1.7 |
| Is Pains | False |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H14O6 |
- 1. Outgoing r'ship
FOUND_INto/from Gliricidia Sepium (Plant) Rel Props:Source_db:npass_chem_all