Isocudraniaxanthone B
PubChem CID: 10831150
Connections displayed (default: 10).
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| Compound Synonyms | isocudraniaxanthone B, 199851-52-0, 1,5,6-trihydroxy-3-methoxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one, CHEMBL199304, HY-N8345, BDBM50175014, AKOS040761878, DA-54408, CS-0143396, 1,5,6-trihydroxy-3-methoxy-4-(2-methylbut-3-en-2-yl)-9H-xanthen-9-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 532.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P35610, O75908, n.a. |
| Iupac Name | 1,5,6-trihydroxy-3-methoxy-4-(2-methylbut-3-en-2-yl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Target Id | NPT1214, NPT2584 |
| Xlogp | 4.4 |
| Molecular Formula | C19H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PELOBHLTYBBGDO-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.976 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.733 |
| Compound Name | Isocudraniaxanthone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 342.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.272251399999999 |
| Inchi | InChI=1S/C19H18O6/c1-5-19(2,3)14-12(24-4)8-11(21)13-15(22)9-6-7-10(20)16(23)17(9)25-18(13)14/h5-8,20-21,23H,1H2,2-4H3 |
| Smiles | CC(C)(C=C)C1=C(C=C(C2=C1OC3=C(C2=O)C=CC(=C3O)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cissus Tricuspidata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Cudrania Tricuspidata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Parthenocissus Tricuspidata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Trichosanthes Tricuspidata (Plant) Rel Props:Reference: