Vismione D
PubChem CID: 5281573
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| Compound Synonyms | Vismione D, B676297K169 Vismione D, 87605-72-9, CHEMBL487795, CHEBI:10000, 6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,8,9-trihydroxy-3-methyl-2,4-dihydroanthracen-1-one, AC1NQYNG, AC1Q6NH0, SCHEMBL16226259, SCHEMBL16226261, DTXSID801112919, NSC605104, NSC-605104, C09977, Q27108552, 6-[[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy]-3,4-dihydro-3,8,9-trihydroxy-3-methyl-1(2H)-anthracenone |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 679.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,8,9-trihydroxy-3-methyl-2,4-dihydroanthracen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C25H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KZPCPZBBGCTGCN-LZYBPNLTSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.283 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.879 |
| Compound Name | Vismione D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 410.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 410.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.795328666666668 |
| Inchi | InChI=1S/C25H30O5/c1-15(2)6-5-7-16(3)8-9-30-19-11-17-10-18-13-25(4,29)14-21(27)23(18)24(28)22(17)20(26)12-19/h6,8,10-12,26,28-29H,5,7,9,13-14H2,1-4H3/b16-8+ |
| Smiles | CC(=CCC/C(=C/COC1=CC(=C2C(=C1)C=C3CC(CC(=O)C3=C2O)(C)O)O)/C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psorospermum Febrifugum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Viscum Coloratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Vismia Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all