Prenylcandidusin A
PubChem CID: 53354806
Connections displayed (default: 10).
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| Compound Synonyms | Prenylcandidusin A, CHEBI:67530, CHEMBL1795461, DTXSID801130915, Q27135999, 2,3-Dibenzofurandiol, 7-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-6,9-dimethoxy-, 7-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-6,9-dimethoxydibenzo[b,d]furan-2,3-diol, 1297472-18-4 |
|---|---|
| Topological Polar Surface Area | 92.3 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 634.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,9-dimethoxydibenzofuran-2,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C25H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BNLTUQWJGCSQHG-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.703 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.914 |
| Compound Name | Prenylcandidusin 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.4071065870967745 |
| Inchi | InChI=1S/C25H24O6/c1-13(2)5-6-15-9-14(7-8-18(15)26)16-11-22(29-3)23-17-10-19(27)20(28)12-21(17)31-25(23)24(16)30-4/h5,7-12,26-28H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1)C2=CC(=C3C4=CC(=C(C=C4OC3=C2OC)O)O)OC)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acrostichum Aureum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Anthocleista Procera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Fleroya Stipulosa (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Gnaphalium Oligandrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Ixeris Denticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Sideritis Hirsuta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Solanum Capsicastrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Ulva Lactuca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Wulfenia Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all