Myricananin E
PubChem CID: 44579886
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| Compound Synonyms | MYRICANANIN E, 3,4,15-trihydroxy-8,16,17-trimethoxytricyclo(12.3.1.12,6)nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one, 3,4,15-trihydroxy-8,16,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one, CHEMBL491043 |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 541.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,15-trihydroxy-8,16,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C22H26O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VSWSCBZOQFDYLA-UHFFFAOYSA-N |
| Fcsp3 | 0.4090909090909091 |
| Logs | -3.801 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.198 |
| Compound Name | Myricananin E |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 402.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 402.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 402.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.509753496551724 |
| Inchi | InChI=1S/C22H26O7/c1-27-18-10-12-8-14(20(26)17(24)9-12)15-11-13(6-4-5-7-16(18)23)19(25)22(29-3)21(15)28-2/h8-9,11,18,24-26H,4-7,10H2,1-3H3 |
| Smiles | COC1CC2=CC(=C(C(=C2)O)O)C3=C(C(=C(C(=C3)CCCCC1=O)O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myrica Nana (Plant) Rel Props:Source_db:cmaup_ingredients