Vismin
PubChem CID: 155775
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| Compound Synonyms | Vismin, 73210-82-9, 4,5,10-trihydroxy-7-methyl-1,1-bis(3-methylbut-2-enyl)anthracen-2-one, CHEMBL467416, SCHEMBL2019297, DTXSID50993938, 1(4H)-Anthracenone, 3,8,9-trihydroxy-6-methyl-4,4-bis(3-methyl-2-butenyl)-, XV166732, 4,5,10-Trihydroxy-7-methyl-1,1-bis(3-methylbut-2-en-1-yl)anthracen-2(1H)-one |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 703.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5,10-trihydroxy-7-methyl-1,1-bis(3-methylbut-2-enyl)anthracen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.5 |
| Molecular Formula | C25H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UACVIOSHILFFIH-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Logs | -4.72 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.028 |
| Compound Name | Vismin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 392.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 392.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.529741413793103 |
| Inchi | InChI=1S/C25H28O4/c1-14(2)6-8-25(9-7-15(3)4)18-12-17-10-16(5)11-19(26)22(17)24(29)23(18)20(27)13-21(25)28/h6-7,10-13,26-27,29H,8-9H2,1-5H3 |
| Smiles | CC1=CC2=CC3=C(C(=CC(=O)C3(CC=C(C)C)CC=C(C)C)O)C(=C2C(=C1)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dryobalanops Oblongifolia (Plant) Rel Props:Source_db:cmaup_ingredients