2-Hydroxy-1,5-dimethoxydibenzo[cd,f]indol-4(5H)-one
PubChem CID: 622222
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| Compound Synonyms | Piperlactam S, 2-Hydroxy-1,5-dimethoxydibenzo[cd,f]indol-4(5H)-one, 188546-49-8, 14-hydroxy-10,15-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one, CHEMBL497039, CHEBI:132657, LHSDJNRAZBFFLF-UHFFFAOYSA-N, DTXSID901189446, HY-N10664, DA-56887, CS-0633869, 2-Hydroxy-1,5-dimethoxydibenzo[cd,f]indol-4(5H)-one #, Dibenz[cd,f]indol-4(5H)-one, 2-hydroxy-1,5-dimethoxy-, (-)-, Naphto[3,2,1-c,d]isoindol-4(5H)-one, 2-hydroxy-1,5-dimethoxy- |
|---|---|
| Topological Polar Surface Area | 59.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14-hydroxy-10,15-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C17H13NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LHSDJNRAZBFFLF-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -6.812 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.992 |
| Compound Name | 2-Hydroxy-1,5-dimethoxydibenzo[cd,f]indol-4(5H)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 295.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.084 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 295.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.013131890909091 |
| Inchi | InChI=1S/C17H13NO4/c1-21-16-13(19)8-11-14-12(18(22-2)17(11)20)7-9-5-3-4-6-10(9)15(14)16/h3-8,19H,1-2H3 |
| Smiles | COC1=C(C=C2C3=C1C4=CC=CC=C4C=C3N(C2=O)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Castilleja Sulphurea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dioscorea Sativa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Forsythia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Gymnosporia Trigyna (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Huperzia Miyoshiana (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Piper Kadsura (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Pseudobrickellia Brasiliensis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Rhododendron Latoucheae (Plant) Rel Props:Source_db:cmaup_ingredients