6,13-Dihydroxy-7-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),9,11,13-heptaen-3-one
PubChem CID: 11737608
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| Topological Polar Surface Area | 76.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,13-dihydroxy-7-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),9,11,13-heptaen-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C16H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FHMVNGNRHMPWOI-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -5.014 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.852 |
| Compound Name | 6,13-Dihydroxy-7-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),9,11,13-heptaen-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 282.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.380965723809524 |
| Inchi | InChI=1S/C16H10O5/c1-20-15-9-3-2-7-4-8(17)5-12-13(7)14(9)10(6-11(15)18)16(19)21-12/h2-6,17-18H,1H3 |
| Smiles | COC1=C(C=C2C3=C1C=CC4=CC(=CC(=C43)OC2=O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Telekia Speciosa (Plant) Rel Props:Source_db:cmaup_ingredients