Furowanin B
PubChem CID: 11655056
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| Compound Synonyms | Furowanin B, (+/-)-Furowanin B, CHEMBL491885, CHEBI:65934, DTXSID701101555, BDBM50250234, 874303-35-2, Q27134433, (+)-3-(3,4-Dihydroxyphenyl)-8,9-dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(3-methyl-2-buten-1-yl)-4H-furo[2,3-h]-1-benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-en-1-yl)-8,9-dihydro-4H-furo[2,3-h]chromen-4-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 32.0 |
| 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 | P03372 |
| Iupac Name | 3-(3,4-dihydroxyphenyl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-8,9-dihydrofuro[2,3-h]chromen-4-one |
| Prediction Hob | 0.0 |
| Target Id | NPT108 |
| Xlogp | 4.6 |
| Molecular Formula | C25H26O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YOKJEIDBLPWOSL-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Logs | -2.82 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.677 |
| Compound Name | Furowanin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 438.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 438.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 438.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.064851200000001 |
| Inchi | InChI=1S/C25H26O7/c1-12(2)5-7-14-21(28)20-22(29)16(13-6-8-17(26)18(27)9-13)11-31-24(20)15-10-19(25(3,4)30)32-23(14)15/h5-6,8-9,11,19,26-28,30H,7,10H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC(=C(C=C4)O)O)CC(O2)C(C)(C)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Millettia Pachycarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all