Kenganthranol A
PubChem CID: 11589590
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| Compound Synonyms | Kenganthranol A, CHEMBL3780465, 1,3,8,10-tetrahydroxy-6-methyl-4,5-bis(3-methylbut-2-enyl)-10H-anthracen-9-one |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 690.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,8,10-tetrahydroxy-6-methyl-4,5-bis(3-methylbut-2-enyl)-10H-anthracen-9-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.9 |
| Molecular Formula | C25H28O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HDMVLEWLWPOMNK-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Logs | -2.307 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.631 |
| Compound Name | Kenganthranol A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 408.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 408.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 408.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.1531628000000005 |
| Inchi | InChI=1S/C25H28O5/c1-12(2)6-8-15-14(5)10-18(27)22-20(15)24(29)21-16(9-7-13(3)4)17(26)11-19(28)23(21)25(22)30/h6-7,10-11,24,26-29H,8-9H2,1-5H3 |
| Smiles | CC1=CC(=C2C(=C1CC=C(C)C)C(C3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Harungana Madagascariensis (Plant) Rel Props:Source_db:cmaup_ingredients