Aristolactam II
PubChem CID: 148745
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| Compound Synonyms | Aristolactam II, Aristololactam II, 55610-00-9, aristolactam-II, Cepharanone A, Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, G3ACC55KFQ, CHEMBL603073, 3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,11,13,15,17-heptaen-9-one, [1,3]benzodioxolo[6,5,4-Cd]benzo[f]indol-5(6h)-One, CCRIS 2577, BRN 0260559, UNII-G3ACC55KFQ, 4-27-00-06583 (Beilstein Handbook Reference), C16H9NO3, DTXSID10204158, BDBM50306868, HY-N11562, AKOS040734746, DA-50696, CS-0649588, Q27457108, 6H-Benzo[f][1,3]dioxolo[4'',5'':4,5]benzo[1,2,3-cd]indol-5-one, A4A |
|---|---|
| Topological Polar Surface Area | 47.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 439.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P24941 |
| Iupac Name | 3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,11,13,15,17-heptaen-9-one |
| Prediction Hob | 1.0 |
| Target Id | NPT1371 |
| Xlogp | 3.1 |
| Molecular Formula | C16H9NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KPVDACWQNCRKTG-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -7.532 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.274 |
| Compound Name | Aristolactam II |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 263.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 263.058 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 263.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.409362399999999 |
| Inchi | InChI=1S/C16H9NO3/c18-16-10-6-12-15(20-7-19-12)14-9-4-2-1-3-8(9)5-11(17-16)13(10)14/h1-6H,7H2,(H,17,18) |
| Smiles | C1OC2=C(O1)C3=C4C(=C2)C(=O)NC4=CC5=CC=CC=C53 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aristolochia Contorta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aristolochia Debilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aristolochia Manshuriensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all