Lauterine
PubChem CID: 73104
Connections displayed (default: 10).
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| Compound Synonyms | Lauterine, 28200-65-9, oxolaureline, 10-methoxyliriodenine, NSC267718, NSC 267718, 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one, 11-methoxy-, CHEMBL471281, DTXSID50182466, NSC-267718, 17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one, Oxolaurenine, A8YP5MZ757, DTXCID60104957, DBA20065, HY-N3397, BDBM50478502, AKOS040761976, DA-76516, CS-0024106, 11-Methoxy-8H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-one, Noraporphin-7-one, 4,5,6,6a-tetradehydro-10-methoxy-1,2-(methylenedioxy)-, 17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0{2,6}.0{8,20}.0{14,19}]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one |
|---|---|
| Topological Polar Surface Area | 57.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 497.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H11NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BHFUORVSBHCRKK-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -6.671 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.037 |
| Compound Name | Lauterine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 305.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 305.069 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 305.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.298374408695652 |
| Inchi | InChI=1S/C18H11NO4/c1-21-10-2-3-11-12(7-10)15-14-9(4-5-19-16(14)17(11)20)6-13-18(15)23-8-22-13/h2-7H,8H2,1H3 |
| Smiles | COC1=CC2=C(C=C1)C(=O)C3=NC=CC4=CC5=C(C2=C43)OCO5 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Sheareri (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Xylopia Aethiopica (Plant) Rel Props:Source_db:cmaup_ingredients