Robustaflavone 7,4',7''-trimethyl ether
PubChem CID: 14778159
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| Compound Synonyms | Imbricataflavone A, robustaflavone 7,4',7''-trimethyl ether, 133336-96-6, CHEBI:66308, 5-hydroxy-6-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one, 5-hydroxy-6-[5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one, 5-hydroxy-6-(5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-7-methoxy-4H-chromen-4-one, 5-hydroxy-6-(5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl)-2-(4-hydroxyphenyl)-7-methoxychromen-4-one, HY-N10864, AKOS040735995, DA-64411, CS-0637298, Q27134850 |
|---|---|
| Topological Polar Surface Area | 141.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 43.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1100.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-6-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.0 |
| Molecular Formula | C33H24O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NLSFVXZLJDUWJG-UHFFFAOYSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -4.112 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.43 |
| Compound Name | Robustaflavone 7,4',7''-trimethyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 580.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 580.137 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 580.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.391276674418607 |
| Inchi | InChI=1S/C33H24O10/c1-39-19-11-21(35)31-22(36)13-26(43-28(31)12-19)17-6-9-24(40-2)20(10-17)30-27(41-3)15-29-32(33(30)38)23(37)14-25(42-29)16-4-7-18(34)8-5-16/h4-15,34-35,38H,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C5C(=C4O)C(=O)C=C(O5)C6=CC=C(C=C6)O)OC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Selaginella Doederleinii (Plant) Rel Props:Source_db:cmaup_ingredients