Dihydrotanshinone I
PubChem CID: 11425923
Connections displayed (default: 10).
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| Compound Synonyms | Dihydrotanshinone I, 87205-99-0, 15,16-dihydrotanshinone I, (-)-Dihydrotanshinone I, Dihydrotanshinone-I, Tanshinone I, dihydro-, HSDB 8105, UNII-562G9360V6, 562G9360V6, DTXSID20236187, (1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione, DIHYDROTANSHINONE I, (-)-, DihydrotanshinoneI, (1R)-1,6-Dimethyl-1,2-dihydrophenanthro(1,2-b)furan-10,11-dione, (R)-1,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-10,11-dione, PHENANTHRO(1,2-B)FURAN-10,11-DIONE, 1,2-DIHYDRO-1,6-DIMETHYL-, (1R)-, SR-05000002191, 15,16-dihydrotanshinone-I, (1R)-1,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-10,11-dione, MFCD28016070, 4m0e, Dihydrotanshinone centn, Dihydrotanshinone I (Standard), CHEMBL227075, SCHEMBL13049977, HY-N0360R, DTXCID20158678, CHEBI:149872, HARGZZNYNSYSGJ-JTQLQIEISA-N, HY-N0360, BDBM50423877, s9020, AKOS032962078, CCG-208567, Dihydrotanshinone I, >=98% (HPLC), FD29408, NCGC00163651-01, NCGC00163651-06, DA-72777, D5379, (-)-Dihydrotanshinone I, 15,16-Dihydrotanshinone I, SR-05000002191-2, SR-05000002191-3, Q21099654, DIHYDROTANSHINONE (CONSTITUENT OF CHINESE SALVIA), DIHYDROTANSHINONE (CONSTITUENT OF CHINESE SALVIA) [DSC] |
|---|---|
| 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 | 1.0 |
| Uniprot Id | Q99814, n.a., Q9NUW8, Q03164, O97447, P11473, Q9UBT6, P0C6U8, Q9YQ12, O42275, P81908, P07943, O00748, P22303, P23141, P29350, Q06124, Q9Y6L6, Q9NPD5, Q15717, Q7BGE6, P0DTD1 |
| Iupac Name | (1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT50, NPT204, NPT203, NPT166, NPT205, NPT206, NPT5886 |
| Xlogp | 3.2 |
| Molecular Formula | C18H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HARGZZNYNSYSGJ-JTQLQIEISA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.979 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.424 |
| Compound Name | Dihydrotanshinone I |
| 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/t10-/m0/s1 |
| Smiles | C[C@H]1COC2=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 Agathosma Thymifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Amaranthus Hybr (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Amentotaxus Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Artemisia Siversiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Asphodeline Tenuior (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Bothriocline Longipes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Camptothecium Lutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Deguelia Hatschbachii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Delphinium Cyphoplectrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Dioscorea Communis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Euphorbia Retusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Euphorbia Sancta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Glycine Falcata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Triphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Iris Hoogiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Metzgeria Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Notholaena Dealbata (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Picradeniopsis Pringlei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Salvia Bowleyana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Salvia Bulleyana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Salvia Castanea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Salvia Digitaloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Salvia Flava (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Salvia Prionitis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Salvia Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Salvia Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
FOUND_INto/from Salvia Trijuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Salvia Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Senecio Madagascariensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Stauntonia Obovatifoliola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Uvaria Klaineana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Viburnum Sieboldi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
FOUND_INto/from Vicia Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Wisteria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all