Strychnobiflavone
PubChem CID: 5491475
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| Compound Synonyms | Strychnobiflavone, 96253-81-5, 8-[6-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one, DTXSID40242184, 8-(6-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-2,3-dihydroxyphenyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one, DTXCID40164675 |
|---|---|
| Topological Polar Surface Area | 233.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 46.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1250.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[6-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.7 |
| Molecular Formula | C32H22O14 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HCKBBCZNQQSLQT-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -5.033 |
| Rotatable Bond Count | 5.0 |
| Logd | 5.007 |
| Compound Name | Strychnobiflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 630.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 630.101 |
| Hydrogen Bond Acceptor Count | 14.0 |
| Molecular Weight | 630.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.157869408695656 |
| Inchi | InChI=1S/C32H22O14/c1-43-31-27(42)24-19(39)10-18(38)23(30(24)46-28(31)11-3-5-14(34)16(36)7-11)21-13(4-6-15(35)25(21)40)29-32(44-2)26(41)22-17(37)8-12(33)9-20(22)45-29/h3-10,33-40H,1-2H3 |
| Smiles | COC1=C(OC2=C(C1=O)C(=CC(=C2C3=C(C=CC(=C3O)O)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)OC)O)O)C6=CC(=C(C=C6)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Spiranthes Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Verbena Stricta (Plant) Rel Props:Source_db:cmaup_ingredients