Protoapigenone
PubChem CID: 11644907
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| Compound Synonyms | Protoapigenone, 862884-32-0, 5,7-dihydroxy-2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)chromen-4-one, MLS000574831, SMR000156275, 5,7-Dihydroxy-2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)-4H-chromen-4-one, CHEMBL414890, SCHEMBL13066080, BDBM43766, cid_11644907, REGID_for_CID_11644907, DA-77167, HY-134008, CS-0136497, G89276, 5,7-dihydroxy-2-(1-hydroxy-4-keto-cyclohexa-2,5-dien-1-yl)chromone, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-, 5,7-bis(oxidanyl)-2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)chromen-4-one, 5,7-dihydroxy-2-(1-hydroxy-4-oxo-1-cyclohexa-2,5-dienyl)-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 557.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P02545, P42858, P30291, Q03164, P51151, P14635, P10636, P51450, P38532, Q962Y6, Q9F4F7, Q194T2, P00811, O15118, P07550, Q16236, P17861, Q96KQ7, P35639, Q96QE3, P11473, O89049, P49798, Q9UNA4, Q9Y253, P84022, P08659, O75496, Q8IUX4, Q9HC16, Q99700, P43220, Q9NUW8, O75874, O94782, Q03431, P00749, P78417 |
| Iupac Name | 5,7-dihydroxy-2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)chromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT483, NPT1197, NPT1038, NPT537, NPT51, NPT538, NPT2892 |
| Xlogp | 0.0 |
| Molecular Formula | C15H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DLMOVPAUHQQYHA-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -2.758 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.912 |
| Compound Name | Protoapigenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 286.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0018627523809522 |
| Inchi | InChI=1S/C15H10O6/c16-8-1-3-15(20,4-2-8)13-7-11(19)14-10(18)5-9(17)6-12(14)21-13/h1-7,17-18,20H |
| Smiles | C1=CC(C=CC1=O)(C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daphne Oleoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all