Dihydrotanshinone
PubChem CID: 5316743
Connections displayed (default: 10).
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| Compound Synonyms | DIHYDROTANSHINONE, 125623-97-4, CHEMBL1358724, 1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione, BSPBio_002470, SPECTRUM1505825, SCHEMBL5940466, HARGZZNYNSYSGJ-UHFFFAOYSA-N, BDBM50391428, AKOS015903073, CCG-214427, NCGC00095712-01, NCGC00095712-02, NCGC00095712-03, AC-22922, BS-43783, Dihydrotanshinone I, 15,16-Dihydrotanshinone I, AO-088/21192004, 1,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-10,11-dione |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 533.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02545, P10828, P46063, Q99714, B2RXH2, Q9NUW8, P10636, P25779, P00352, P02791, P28482, Q03164, O97447, P15428, P04637, P54132, P08684, Q92830, P11473, Q9UBT6, O94782, P14902 |
| Iupac Name | 1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT483, NPT46, NPT47, NPT149, NPT48, NPT50, NPT51, NPT94, NPT282, NPT151, NPT539, NPT58, NPT109, NPT1078 |
| Xlogp | 3.2 |
| Molecular Formula | C18H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HARGZZNYNSYSGJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.979 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.424 |
| Compound Name | Dihydrotanshinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 278.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9086843523809525 |
| Inchi | InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3 |
| Smiles | CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Salvia Prionitis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Salvia Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Salvia Przewalskll (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Salvia Trijuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all