piperolactam C
PubChem CID: 10881419
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| Compound Synonyms | piperolactam C, 116064-76-7, 13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one, 1,2,3-Trimethoxydibenz[cd,f]indol-4(5H)-one, 13,14,15-trimethoxy-10-azatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-11-one, O-Methylpiperolactam B, RDL2GAQ3BL, Piperolactam B methyl ether, CHEMBL250441, CHEBI:174960, DTXSID301260931, HY-N3047, REA06476, AKOS032948924, FS-9474, CS-0023092, F92899, Dibenz[cd,f]indol-4(5H)-one, 1,2,3-trimethoxy-, 1,2,3-Trimethoxydibenz[cd,f]indol-4(5H)-one, 9CI, 13,14,15-trimethoxy-10-azatetracyclo[7.6.1.0(2),?.0(1)(2),(1)?]hexadeca-1(16),2(7),3,5,8,12,14-heptaen-11-one |
|---|---|
| Topological Polar Surface Area | 56.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Description | Alkaloid from the whole plants of Piper longum (long pepper),. Piperolactam C is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 470.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 13,14,15-trimethoxy-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 | C18H15NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GYYIMUXZCUHECT-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -6.375 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.009 |
| Synonyms | 1,2,3-Trimethoxydibenz[cd,f]indol-4(5H)-one, 9CI, O-Methylpiperolactam B, Piperolactam B methyl ether, Piperolactam C |
| Compound Name | piperolactam C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 309.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 309.1 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 309.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4924249826086955 |
| Inchi | InChI=1S/C18H15NO4/c1-21-15-12-10-7-5-4-6-9(10)8-11-13(12)14(18(20)19-11)16(22-2)17(15)23-3/h4-8H,1-3H3,(H,19,20) |
| Smiles | COC1=C(C(=C2C3=C1C4=CC=CC=C4C=C3NC2=O)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Vilmorini (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Fissistigma Balansae (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Fissistigma Oldhamii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Mortonia Palmeri (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Piper Longum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Piper Taiwanense (Plant) Rel Props:Source_db:cmaup_ingredients