Yinyanghuo A
PubChem CID: 5315393
Connections displayed (default: 10).
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| Compound Synonyms | Yinyanghuo A, 174391-72-1, CHEBI:66492, 5,7-dihydroxy-2-[8-(2-hydroxy-3-methylbut-3-enyl)-2,2-dimethylchromen-6-yl]chromen-4-one, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(8-(2-hydroxy-3-methyl-3-butenyl)-2,2-dimethyl-2H-1-benzopyran-6-yl)-, (-)-, 5,7-dihydroxy-8'-(2-hydroxy-3-methylbut-3-en-1-yl)-2',2'-dimethyl-2'H,4H-2,6'-bichromen-4-one, 5,7-dihydroxy-2-(8-(2-hydroxy-3-methylbut-3-enyl)-2,2-dimethylchromen-6-yl)chromen-4-one, CHEMBL462969, SCHEMBL3679541, LMPK12110428, Q27135095 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 783.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5,7-dihydroxy-2-[8-(2-hydroxy-3-methylbut-3-enyl)-2,2-dimethylchromen-6-yl]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C25H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZAUWPDSVLSOCDG-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Logs | -4.139 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.981 |
| Compound Name | Yinyanghuo A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 420.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 420.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 420.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.103693683870969 |
| Inchi | InChI=1S/C25H24O6/c1-13(2)18(27)9-16-8-15(7-14-5-6-25(3,4)31-24(14)16)21-12-20(29)23-19(28)10-17(26)11-22(23)30-21/h5-8,10-12,18,26-28H,1,9H2,2-4H3 |
| Smiles | CC(=C)C(CC1=CC(=CC2=C1OC(C=C2)(C)C)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Epimedium Brevicornu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Epimedium Sagittatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Fritillaria Pallidiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all