Coumarin 7
PubChem CID: 94381
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Coumarin 7, 27425-55-4, 3-(2-Benzimidazolyl)-7-(diethylamino)coumarin, DISPERSE YELLOW 82, 2H-1-Benzopyran-2-one, 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-, 12239-58-6, Coumarin, 3-(2-benzimidazolyl)-7-(diethylamino)-, 3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one, 3-(1H-benzo[d]imidazol-2-yl)-7-(diethylamino)-2H-chromen-2-one, MFCD00051348, 3-(Benzimidazol-2-yl)-7-diethylaminocoumarin, 3-(1H-Benzimidazol-2-yl)-7-(diethylamino)-2-benzopyrone, EINECS 248-451-4, 3-(1H-1,3-benzodiazol-2-yl)-7-(diethylamino)chromen-2-one, NSC 303254, MLS000106044, DTXSID4067309, 3-(1H-Benzimidazol-2-yl)-7-(diethylamino)-2H-chromen-2-one, NSC303254, NSC-303254, SMR000103015, 3-(1H-1,3-benzodiazol-2-yl)-7-(diethylamino)-2H-chromen-2-one, KSC-16-133, C.I. Disperse Yellow 82, Coumarin,, coumarin-7, Yellow 8GFF, Disperse Yellow 8GFF, Coumarin 7, 98%, D820 Savannah Yellow, Fluorescent Yellow 10G, Enamine_000185, Oprea1_440779, CBDivE_006555, cid_94381, BIDD:GT0472, SCHEMBL180716, REGID_for_CID_94381, CHEMBL374632, VX3Q255SG5, Terasil Brilliant Flavine 8GFF, DTXCID8037675, BDBM37601, 3-(1H-Benzoimidazol-2-yl)-7-diethylamino-chromen-2-one, HMS1394I09, HMS2467L12, KUC105942N, Sumikaron Brilliant Flavine S 10G, 3-(1H-Benzimidazol-2-yl)-7-(diethylamino)-2H-1-benzopyran-2-one, CID 94381, KUC105942, STK325581, AKOS000415301, AS-71890, DA-72349, SY051291, HY-125750, B2111, CS-0094880, NS00020502, T70702, 3-(2'-Benzimidazolyl)-7-(diethylamino)coumarin, 3-(Benzimidazol-2-yl)-7-(diethylamino)coumarin, SR-01000389310, 3-(1H-benzimidazol-2-yl)-7-(diethylamino)coumarin, SR-01000389310-1, BRD-K85676811-001-08-2, Z56758388, F0266-2430, 3-(Benzimidazol-2-yl)-7-diethylamino-2H-benzopyran-2-one, 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1-benzopyran-2-one, 3-(1H-Benzimidazol-2-yl)-7-(diethylamino)-2H-chromen-2-one #, 248-451-4, 602-763-0 |
|---|---|
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 531.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08659, O75604, Q03164, P02545, P38398, P42858, P55210, P51151, Q94696, P10636, Q14289, P02791, P51450, P15917, O15118, P04637, Q13315, P29466, P68871, Q6W5P4, P06746, Q99816, O95180, O00167, Q96QE3, Q13951, O95149, P83916, Q9UNA4, Q9Y253, P84022, O75496, Q932Y6, O94925, Q9HC16, Q99700, Q79MP6, Q13526, Q5J463, P01215, Q9NUW8, Q8WZA2, O94782, O95398, Q9NR56, P53350, P0DTD1, n.a. |
| Iupac Name | 3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one |
| Prediction Hob | 1.0 |
| Target Id | NPT45, NPT483, NPT157, NPT1197, NPT1038, NPT1226, NPT537, NPT51, NPT3263, NPT538, NPT539, NPT524, NPT277, NPT2930, NPT1416, NPT59 |
| Xlogp | 4.0 |
| Molecular Formula | C20H19N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GOLORTLGFDVFDW-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -7.073 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.977 |
| Compound Name | Coumarin 7 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 333.148 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 333.148 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 333.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.000924200000001 |
| Inchi | InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22) |
| Smiles | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Decursiva (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Cinnamomum Cassia (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Cnidium Monieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Dianthus Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Peucedanum Praeruptorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Torilis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all