Dichamanetin
PubChem CID: 181193
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| Compound Synonyms | Dichamanetin, 58779-09-2, (2S)-5,7-dihydroxy-6,8-bis[(2-hydroxyphenyl)methyl]-2-phenyl-2,3-dihydrochromen-4-one, CHEBI:69681, DTXSID90207506, (S)-5,7-Dihydroxy-6,8-bis(2-hydroxybenzyl)-2-phenylchroman-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6,8-bis((2-hydroxyphenyl)methyl)-2-phenyl-, (S)-, (2S)-5,7-dihydroxy-6,8-bis((2-hydroxyphenyl)methyl)-2-phenyl-2,3-dihydrochromen-4-one, Compound NP-021303, CHEMBL1835968, SCHEMBL13708484, DTXCID50129997, (2S)-5,7-dihydroxy-6,8-bis[(2-hydroxyphenyl)methyl]-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one, BDBM50079360, NSC787053, AKOS030552820, NSC-787053, Q27138022, [S,(-)]-2,3-Dihydro-5,7-dihydroxy-6,8-bis[(2-hydroxyphenyl)methyl]-2-phenyl-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 707.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P0A9A6 |
| Iupac Name | (2S)-5,7-dihydroxy-6,8-bis[(2-hydroxyphenyl)methyl]-2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.9 |
| Molecular Formula | C29H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WBZSDBHJYZORRP-VWLOTQADSA-N |
| Fcsp3 | 0.1379310344827586 |
| Logs | -4.002 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.395 |
| Compound Name | Dichamanetin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 468.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 468.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 468.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.626559571428572 |
| Inchi | InChI=1S/C29H24O6/c30-22-12-6-4-10-18(22)14-20-27(33)21(15-19-11-5-7-13-23(19)31)29-26(28(20)34)24(32)16-25(35-29)17-8-2-1-3-9-17/h1-13,25,30-31,33-34H,14-16H2/t25-/m0/s1 |
| Smiles | C1[C@H](OC2=C(C(=C(C(=C2C1=O)O)CC3=CC=CC=C3O)O)CC4=CC=CC=C4O)C5=CC=CC=C5 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crotalaria Pallida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Desmos Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Evolvulus Nummularius (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Piper Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all