3,11-Dihydroxy-4,10-dimethoxy-7,16-dioxatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),2,4,9,11,13-hexaene-6,8-dione
PubChem CID: 5316855
Connections displayed (default: 10).
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| Topological Polar Surface Area | 115.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 504.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,11-dihydroxy-4,10-dimethoxy-7,16-dioxatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),2,4,9,11,13-hexaene-6,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C16H10O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XSBHGNOXKXRKGQ-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.557 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.064 |
| Compound Name | 3,11-Dihydroxy-4,10-dimethoxy-7,16-dioxatetracyclo[11.2.1.05,15.09,14]hexadeca-1(15),2,4,9,11,13-hexaene-6,8-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.038 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 330.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.938970933333333 |
| Inchi | InChI=1S/C16H10O8/c1-21-13-5(17)3-7-9-10-8(23-7)4-6(18)14(22-2)12(10)16(20)24-15(19)11(9)13/h3-4,17-18H,1-2H3 |
| Smiles | COC1=C2C3=C(C=C1O)OC4=C3C(=C(C(=C4)O)OC)C(=O)OC2=O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acridocarpus Vivy (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cirsium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Euphorbia Pekinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Syneilesis Palmata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Tinospora Hainanensis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Uncaria Donisii (Plant) Rel Props:Source_db:cmaup_ingredients