Artochamin C
PubChem CID: 10247422
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| Compound Synonyms | ARTOCHAMIN C, CHEBI:65440, 2-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-4H,8H-pyrano[2,3-f]chromen-4-one, 5-hydroxy-8,8-dimethyl-2-(3,4-dihydroxyphenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethylpyrano[2,3-h]chromen-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethylpyrano(2,3-h)chromen-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-4H,8H-pyrano(2,3-f)chromen-4-one, 5-Hydroxy-8,8-dimethyl-2-(3,4-dihydroxyphenyl)-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one, CHEMBL445760, Q27133885, 697234-27-8 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 638.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C20H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QNSVTPUDNHNRQZ-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.598 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.121 |
| Compound Name | Artochamin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 352.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.177905015384616 |
| Inchi | InChI=1S/C20H16O6/c1-20(2)6-5-11-17(26-20)9-15(24)18-14(23)8-16(25-19(11)18)10-3-4-12(21)13(22)7-10/h3-9,21-22,24H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Chama (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Solanum Sarrachoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all