Gerontoxanthone H
PubChem CID: 11211194
Connections displayed (default: 10).
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| Compound Synonyms | gerontoxanthone H, MLS000697646, 2,6,8-trihydroxy-1,5-bis(3-methylbut-2-enyl)xanthen-9-one, 125140-06-9, SMR000470972, CHEMBL514057, BDBM69606, cid_11211194, HMS2269B20, 2,6,8-trihydroxy-1,5-bis(3-methylbut-2-enyl)xanthone, 2,6,8-trihydroxy-1,5-bis(3-methylbut-2-enyl)-9-xanthenone, 1,5-bis(3-methylbut-2-enyl)-2,6,8-tris(oxidanyl)xanthen-9-one |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 631.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O75164, Q16236, P84022, O75874, O75496, Q99700, P43220, Q9NUW8, Q13148, P37840, Q03431, n.a., P35869 |
| Iupac Name | 2,6,8-trihydroxy-1,5-bis(3-methylbut-2-enyl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C23H24O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VGCAJFOJSSFOSL-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -2.59 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.457 |
| Compound Name | Gerontoxanthone H |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 380.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 380.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.620228000000001 |
| Inchi | InChI=1S/C23H24O5/c1-12(2)5-7-14-16(24)9-10-19-20(14)22(27)21-18(26)11-17(25)15(23(21)28-19)8-6-13(3)4/h5-6,9-11,24-26H,7-8H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=CC2=C1C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Cochinchinensis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Buchanania Cochinchinensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Cissus Tricuspidata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Cudrania Tricuspidata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Dalbergia Cochinchinensis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Desmos Cochinchinensis (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Excoecaria Cochinchinensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Glycosmis Cochinchinensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Homalium Cochinchinensis (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Maclura Aurantiaca (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Maclura Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Maclura Pomifera (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Maclura Tinctoria (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Macrosolen Cochinchinensis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Melodinus Cochinchinensis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Momordica Cochinchinensis (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Mucuna Cochinchinensis (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Parthenocissus Tricuspidata (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Stemona Cochinchinensis (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Symplocos Cochinchinensis (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Trichosanthes Tricuspidata (Plant) Rel Props:Reference: