Palmidin B
PubChem CID: 5320385
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Palmidin B, UNII-L6LD6C67BV, L6LD6C67BV, 17062-56-5, (9,9'-Bianthracene)-10,10'(9H,9'H)-dione, 4,4',5,5'-tetrahydroxy-2-(hydroxymethyl)-2'-methyl-, Aloeemodin-chrysophanol bianthrone, CHEBI:175809, DTXSID201318529, 10-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methyl-10H-anthracen-9-one, Q27282777, 4,4',5,5'-Tetrahydroxy-2-(hydroxymethyl)-2'-methyl-[9,9'-bianthracene]-10,10'(9H,9'H)-dione, 9CI |
|---|---|
| Topological Polar Surface Area | 135.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 37.0 |
| Description | Isolated from roots of Rheum palmatum (Turkey rhubarb) also cascara (Rhamnus purshiana). Palmidin B is found in green vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 891.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methyl-10H-anthracen-9-one |
| Prediction Hob | 0.0 |
| Class | Anthracenes |
| Xlogp | 5.2 |
| Superclass | Benzenoids |
| Molecular Formula | C30H22O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AGYHUJLPTURBHW-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -4.643 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.02 |
| Synonyms | 4,4',5,5'-Tetrahydroxy-2-(hydroxymethyl)-2'-methyl-[9,9'-bianthracene]-10,10'(9H,9'H)-dione, 9CI, Aloeemodin-chrysophanol bianthrone, 4,4',5,5'-Tetrahydroxy-2-(hydroxymethyl)-2'-methyl-[9,9'-bianthracene]-10,10'(9H,9'H)-dione, 9ci |
| Compound Name | Palmidin B |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 494.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 494.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 494.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Esol | -6.548793800000002 |
| Inchi | InChI=1S/C30H22O7/c1-13-8-17-23(15-4-2-6-19(32)25(15)29(36)27(17)21(34)9-13)24-16-5-3-7-20(33)26(16)30(37)28-18(24)10-14(12-31)11-22(28)35/h2-11,23-24,31-35H,12H2,1H3 |
| Smiles | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)CO)C=CC=C3O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Anthracenes |
- 1. Outgoing r'ship
FOUND_INto/from Rheum Coreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Rheum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rheum Palmatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Rheum Tanguticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all