17-Hydroxycryptotanshinone
PubChem CID: 23252570
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 17-Hydroxycryptotanshinone |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 588.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-1-(hydroxymethyl)-6,6-dimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Is Pains | True |
| Molecular Formula | C19H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RLHQXRPMHRPPEA-JTQLQIEISA-N |
| Fcsp3 | 0.4736842105263157 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 17-Hydroxycryptotanshinone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 312.136 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 312.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5291064782608697 |
| Inchi | InChI=1S/C19H20O4/c1-19(2)7-3-4-11-13(19)6-5-12-15(11)17(22)16(21)14-10(8-20)9-23-18(12)14/h5-6,10,20H,3-4,7-9H2,1-2H3/t10-/m0/s1 |
| Smiles | CC1(CCCC2=C1C=CC3=C2C(=O)C(=O)C4=C3OC[C@@H]4CO)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients