Myricananin D
PubChem CID: 44579885
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| Compound Synonyms | MYRICANANIN D, (7Z)-3,4,15-trihydroxy-16,17-dimethoxytricyclo(12.3.1.12,6)nonadeca-1(17),2,4,6(19),7,14(18),15-heptaen-9-one, (7Z)-3,4,15-trihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),7,14(18),15-heptaen-9-one, CHEMBL490838 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 535.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7Z)-3,4,15-trihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),7,14(18),15-heptaen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C21H22O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AGEZNBLESOIPIM-FPLPWBNLSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -4.084 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.346 |
| Compound Name | Myricananin D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 370.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 370.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.582475088888889 |
| Inchi | InChI=1S/C21H22O6/c1-26-20-16-11-13(18(24)21(20)27-2)5-3-4-6-14(22)8-7-12-9-15(16)19(25)17(23)10-12/h7-11,23-25H,3-6H2,1-2H3/b8-7- |
| Smiles | COC1=C2C=C(CCCCC(=O)/C=C\C3=CC2=C(C(=C3)O)O)C(=C1OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myrica Nana (Plant) Rel Props:Source_db:cmaup_ingredients