Kayeassamin G
PubChem CID: 25141331
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | kayeassamin G, 5,7-dihydroxy-4-((1S)-1-hydroxypropyl)-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)chromen-2-one, 5,7-dihydroxy-4-[(1S)-1-hydroxypropyl]-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)chromen-2-one, CHEMBL489072 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 645.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5,7-dihydroxy-4-[(1S)-1-hydroxypropyl]-6-(3-methylbutanoyl)-8-(3-methylbut-2-enyl)chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C22H28O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BTFZDVPXMARYML-HNNXBMFYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -3.86 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.768 |
| Compound Name | Kayeassamin G |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 388.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 388.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.268337714285716 |
| Inchi | InChI=1S/C22H28O6/c1-6-15(23)14-10-17(25)28-22-13(8-7-11(2)3)20(26)19(21(27)18(14)22)16(24)9-12(4)5/h7,10,12,15,23,26-27H,6,8-9H2,1-5H3/t15-/m0/s1 |
| Smiles | CC[C@@H](C1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)CC(C)C)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aesculus Assamica (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Boehmeria Siamensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Chisocheton Siamensis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Clinacanthus Siamensis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Crotalaria Assamica (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Dalbergia Assamica (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Eria Siamensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Mammea Africana (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Mammea Americana (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Mammea Longifolia (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Mammea Siamensis (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Mammea Suriga (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Murraya Siamensis (Plant) Rel Props:Reference: