15,16-Dihydrotanshindiol B
PubChem CID: 102004773
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| Compound Synonyms | 15,16-Dihydrotanshindiol B, 891854-86-7, (6R,7S)-6,7-dihydroxy-1,6-dimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione, 15,16-Dihydrotanshindiol B/C, DTXSID701345711, AKOS040734140, FS-7605 |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 609.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6R,7S)-6,7-dihydroxy-1,6-dimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C18H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HSWJBFKCVPRBJO-AJJMNOOBSA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | -4.283 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.803 |
| Compound Name | 15,16-Dihydrotanshindiol B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 314.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3977328782608693 |
| Inchi | InChI=1S/C18H18O5/c1-8-7-23-17-10-3-5-11-9(4-6-12(19)18(11,2)22)14(10)16(21)15(20)13(8)17/h3,5,8,12,19,22H,4,6-7H2,1-2H3/t8?,12-,18+/m0/s1 |
| Smiles | CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CC[C@@H]([C@]4(C)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients