5,7-Dihydroxy-3,6,8-tris(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)chromen-4-one
PubChem CID: 101583553
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL3394446 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 949.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3,6,8-tris(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.7 |
| Molecular Formula | C30H34O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ROZLRDFWASSJFO-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.478 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.338 |
| Compound Name | 5,7-Dihydroxy-3,6,8-tris(3-methylbut-2-enyl)-2-(2,4,5-trihydroxyphenyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 506.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 506.23 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 506.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.557589000000002 |
| Inchi | InChI=1S/C30H34O7/c1-15(2)7-10-18-26(34)19(11-8-16(3)4)30-25(27(18)35)28(36)20(12-9-17(5)6)29(37-30)21-13-23(32)24(33)14-22(21)31/h7-9,13-14,31-35H,10-12H2,1-6H3 |
| Smiles | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3O)O)O)CC=C(C)C)CC=C(C)C)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysosplenium Grayanum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Oliveri (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Euphorbia Jolkinii (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ixora Coccinea (Plant) Rel Props:Source_db:cmaup_ingredients