3'-O-Angeloylhamaudol
PubChem CID: 56643444
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3'-O-Angeloylhamaudol, 84272-84-4, 3 inverted exclamation marka-O-Angeloylhamaudol, 3-O-Angeloylhamaudol, 3a?O-Angeloylhamaudol, CHEMBL2059289, HY-N10609, AKOS040734257, FS-7333, DA-69931, CS-0617818, E88911, [(3S)-5-hydroxy-2,2,8-trimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] (Z)-2-methylbut-2-enoate |
|---|---|
| Topological Polar Surface Area | 82.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 661.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | O75874 |
| Iupac Name | [(3S)-5-hydroxy-2,2,8-trimethyl-6-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] (Z)-2-methylbut-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C20H22O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GLVOOJKVWKZSGR-DIEDAUMRSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.146 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.808 |
| Compound Name | 3'-O-Angeloylhamaudol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 358.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 358.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.101633384615386 |
| Inchi | InChI=1S/C20H22O6/c1-6-10(2)19(23)25-16-8-12-14(26-20(16,4)5)9-15-17(18(12)22)13(21)7-11(3)24-15/h6-7,9,16,22H,8H2,1-5H3/b10-6-/t16-/m0/s1 |
| Smiles | C/C=C(/C)\C(=O)O[C@H]1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC1(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sphallerocarpus Gracilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all