Petalopurpurenol
PubChem CID: 10478165
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| Compound Synonyms | Petalopurpurenol, 3,5,7-trihydroxy-2-[8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]chromen-4-one, 3,5,7-trihydroxy-2-(8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl)chromen-4-one, CHEMBL459115, LMPK12112298, 173221-05-1 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 826.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 3,5,7-trihydroxy-2-[8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C25H24O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LBBKHSYDJWHLOM-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Logs | -3.475 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.307 |
| Compound Name | Petalopurpurenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 436.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.152 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 436.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.688652000000001 |
| Inchi | InChI=1S/C25H24O7/c1-13(2)5-4-9-25(3)10-8-16-15(6-7-17(27)23(16)32-25)24-22(30)21(29)20-18(28)11-14(26)12-19(20)31-24/h5-8,10-12,26-28,30H,4,9H2,1-3H3 |
| Smiles | CC(=CCCC1(C=CC2=C(C=CC(=C2O1)O)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalea Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lablab Purpureus (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Petalostemon Gattingeri (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Petalostemon Purpureum (Plant) Rel Props:Reference: