Hamaudol
PubChem CID: 164722
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| Compound Synonyms | Hamaudol, 735-46-6, (3S)-3,5-dihydroxy-2,2,8-trimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one, CHEBI:81123, DTXSID20223719, (S)-3,5-Dihydroxy-2,2,8-trimethyl-3,4-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one, 2H,6H-Benzo(1,2-b:5,4-b')dipyran-6-one, 3,4-dihydro-3,5-dihydroxy-2,2,8-trimethyl-, (S)-, (3S)-3,5-dihydroxy-2,2,8-trimethyl-3,4-dihydropyrano(3,2-g)chromen-6-one, CHEMBL2059288, DTXCID00146210, GLXC-19151, HY-N6891, AKOS040760442, DA-74002, FH160469, MS-23924, CS-0100499, C17483, G17088, Q27155079, (7S)-5,7-DIHYDROXY-2,8,8-TRIMETHYL-4H,6H,7H,8H-PYRANO[3,2-G]CHROMEN-4-ONE, (S)-5,7-Dihydroxy-2,8,8-trimethyl-7,8-dihydropyrano[3,2-g]chromen-4(6H)-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 455.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | O75874 |
| Iupac Name | (3S)-3,5-dihydroxy-2,2,8-trimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C15H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VOTLUFSYIRHICX-LBPRGKRZSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.903 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.759 |
| Compound Name | Hamaudol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 276.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7608856 |
| Inchi | InChI=1S/C15H16O5/c1-7-4-9(16)13-11(19-7)6-10-8(14(13)18)5-12(17)15(2,3)20-10/h4,6,12,17-18H,5H2,1-3H3/t12-/m0/s1 |
| Smiles | CC1=CC(=O)C2=C(C3=C(C=C2O1)OC([C@H](C3)O)(C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Peucedanum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Saposhnikovia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all