Skyrin
PubChem CID: 73071
Connections displayed (default: 10).
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| Compound Synonyms | Skyrin, 602-06-2, Endothianin, Rhodophyscin, 2,4,5-trihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione, SKIRIN, (+)-S-Skyrin, VLA1F42GXP, CHEMBL472851, NSC361128, (R)-2,2',4,4',5,5'-Hexahydroxy-7,7'-dimethyl-[1,1'-bianthracene]-9,9',10,10'-tetraone, NSC-361128, (1,1'-Bianthracene)-9,9',10,10'-tetrone, 2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-, (S)-, 131233-49-3, (S)-2,2',4,4',5,5'-Hexahydroxy-7,7'-dimethyl-[1,1'-bianthracene]-9,9',10,10'-tetraone, 2,2',4,4',5,5'-Hexahydroxy-7,7'-dimethyl-[1,1'-bianthracene]-9,9',10,10'-tetraone, 35144-94-6, CCRIS 4401, UNII-VLA1F42GXP, NSC 361128, 1,1'-Bisemodin, (-)-R-skyrin, [1,1'-Bianthracene]-9,9',10,10'-tetrone,2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-, (1S)-, SCHEMBL2665352, DTXSID00208943, CHEBI:144311, MQSXZQXHIJMNAF-UHFFFAOYSA-N, AAA60206, BDBM50388868, C30H18O10, HB4088, AKOS030532981, BS-1239, NCI60_003292, HY-119739, CS-0077910, Q27291883, 1,1'-Bi[anthryl-9,10-dione], 2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-, [1,1'-Bianthracene]-9,9',10,10'-tetrone, 2,2',4,4',5,5'-hexahydroxy-7,7'-dimethyl-, (1S) |
|---|---|
| Topological Polar Surface Area | 190.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1010.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | A5HZZ9, n.a. |
| Iupac Name | 2,4,5-trihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione |
| Prediction Hob | 0.0 |
| Xlogp | 5.1 |
| Molecular Formula | C30H18O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MQSXZQXHIJMNAF-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -11.057 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.234 |
| Compound Name | Skyrin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 538.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 538.09 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 538.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.794676800000002 |
| Inchi | InChI=1S/C30H18O10/c1-9-3-11-19(13(31)5-9)29(39)23-17(35)7-15(33)21(25(23)27(11)37)22-16(34)8-18(36)24-26(22)28(38)12-4-10(2)6-14(32)20(12)30(24)40/h3-8,31-36H,1-2H3 |
| Smiles | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C5=O)C=C(C=C6O)C)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Parviflora (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Bridelia Stipularis (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Crotalaria Assamica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Muntingia Calabura (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ventilago Leiocarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all