7-O-Methylgarcinone
PubChem CID: 10435205
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| Compound Synonyms | 7-O-methylgarcinone, CHEMBL463410, 3,6,8-trihydroxy-2-methoxy-1,4,7-tris(3-methylbut-2-enyl)xanthen-9-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 832.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6,8-trihydroxy-2-methoxy-1,4,7-tris(3-methylbut-2-enyl)xanthen-9-one |
| Prediction Hob | 0.0 |
| Xlogp | 8.2 |
| Molecular Formula | C29H34O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CYZRCBIQIBAFCQ-UHFFFAOYSA-N |
| Fcsp3 | 0.3448275862068966 |
| Logs | -3.205 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.145 |
| Compound Name | 7-O-Methylgarcinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 478.236 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 478.236 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 478.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.147427 |
| Inchi | InChI=1S/C29H34O6/c1-15(2)8-11-18-21(30)14-22-24(25(18)31)27(33)23-19(12-9-16(3)4)29(34-7)26(32)20(28(23)35-22)13-10-17(5)6/h8-10,14,30-32H,11-13H2,1-7H3 |
| Smiles | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C(=C(C(=C3C2=O)CC=C(C)C)OC)O)CC=C(C)C)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Cowa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all