(2Z)-6-hydroxy-2-((4-hydroxy-3-methoxyphenyl)methylidene)-1-benzofuran-3-one
PubChem CID: 16376440
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| Compound Synonyms | (2Z)-6-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-benzofuran-3-one, MLS000863596, 4',6-Dihydroxy-3'-methoxyaurone, 32396-80-8, SMR000440745, 942986-93-8, (2Z)-6-hydroxy-2-((4-hydroxy-3-methoxyphenyl)methylidene)-1-benzofuran-3-one, CHEMBL446827, MEGxp0_001777, ACon0_000986, ACon1_000021, BDBM69395, cid_16376440, DTXSID201345728, HMS2269L17, Sid26657808, AKOS002557776, NCGC00168869-01, (2Z)-6-hydroxy-2-vanillylidene-coumaran-3-one, BRD-K01291894-001-01-6, (2Z)-6-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-benzofuranone, (Z)-6-Hydroxy-2-(4-hydroxy-3-methoxybenzylidene)benzofuran-3(2H)-one, (2Z)-2-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one, (2Z)-6-Hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylene]-3(2H)-benzofuranone |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 432.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P47199, n.a., O75604, Q03164, P46063, B2RXH2, P51151, P10636, P02791, O15118, P10253, P06746, Q99816, Q92830, P04637, Q96QE3, O95149, P83916, Q9UNA4, P39748, Q63470, P08659, Q8IUX4, O75496, Q9H0H5, Q99700, P43220, Q14191, P38398, P63092, Q13526, P11308, Q9NUW8, O94782, Q03431, Q9NR56 |
| Iupac Name | (2Z)-6-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-benzofuran-3-one |
| Prediction Hob | 1.0 |
| Target Id | NPT45, NPT47, NPT48, NPT1038, NPT537, NPT51, NPT538, NPT60, NPT59 |
| Xlogp | 2.9 |
| Molecular Formula | C16H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HPSPCMSCDNHZJM-CHHVJCJISA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.551 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.608 |
| Compound Name | (2Z)-6-hydroxy-2-((4-hydroxy-3-methoxyphenyl)methylidene)-1-benzofuran-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6951125428571423 |
| Inchi | InChI=1S/C16H12O5/c1-20-14-6-9(2-5-12(14)18)7-15-16(19)11-4-3-10(17)8-13(11)21-15/h2-8,17-18H,1H3/b15-7- |
| Smiles | COC1=C(C=CC(=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dipteryx Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all