Angolensin
PubChem CID: 3584988
Connections displayed (default: 10).
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| Compound Synonyms | Angolensin, 642-39-7, 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one, CHEMBL1373918, MEGxp0_001298, SCHEMBL2544863, ACon1_001366, DTXSID90393892, CHEBI:180150, BDBM50102652, LMPK12160054, AKOS022171995, NCGC00095447-01, NCGC00095447-02, XA161653, AN-566/21182001, 2,4-Dihydroxy-4?-methoxy-alpha-methyl desoxybenzoin, Angolesin, (+/-)-Angolensin |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10636, P51450, P97697, P02791, Q03164, P08684, O94782, Q9NUW8, P14916, P37231 |
| Iupac Name | 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Target Id | NPT51, NPT109, NPT99 |
| Xlogp | 3.6 |
| Molecular Formula | C16H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CCOJFDRSZSSKOG-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.694 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.966 |
| Compound Name | Angolensin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 272.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.963659999999999 |
| Inchi | InChI=1S/C16H16O4/c1-10(11-3-6-13(20-2)7-4-11)16(19)14-8-5-12(17)9-15(14)18/h3-10,17-18H,1-2H3 |
| Smiles | CC(C1=CC=C(C=C1)OC)C(=O)C2=C(C=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anthocephalus Indicus (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Astragalus Pterocarpus (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Authocephalus Indicus (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Cocculus Indicus (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Damnacanthus Indicus (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Dipterocarpus Indicus (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Euonymus Indicus (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Hemidesmus Indicus (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Melilotus Indicus (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Ptercarpus Indicus (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Pterocarpus Dalbergioides (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Pterocarpus Erinaceus (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Pterocarpus Grandiflorus (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Pterocarpus Macrocarpus (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Pterocarpus Marsupium (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Pterocarpus Officinalis (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Pterocarpus Santalinus (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Sphaeranthus Indicus (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Sphaerunthus Indicus (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Tamarindus Indicus (Plant) Rel Props:Reference: