Lindechunine A
PubChem CID: 497803
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| Compound Synonyms | Lindechunine A, CHEBI:66577, 11-hydroxy-4,12-dimethoxy-8H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one, 17-hydroxy-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14(19),15,17-octaen-13-one, 11-hydroxy-4,12-dimethoxy-8H-(1,3)benzodioxolo(6,5,4-de)benzo(g)quinolin-8-one, 17-hydroxy-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1,6,8(20),9,11,14(19),15,17-octaen-13-one, Q27135192, 8H-1,3-Benzodioxolo[6,5,4-de]benzo[g]quinolin-8-one, 11-hydroxy-4,12-dimethoxy-, 532391-61-0 |
|---|---|
| Topological Polar Surface Area | 87.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 572.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-hydroxy-7,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),9,11,14(19),15,17-octaen-13-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C19H13NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZLFKJSKABHQLAQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -4.568 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.598 |
| Compound Name | Lindechunine A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 351.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 351.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 351.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2126314153846165 |
| Inchi | InChI=1S/C19H13NO6/c1-23-16-9-5-6-20-14-11(9)13(18-19(16)26-7-25-18)12-8(15(14)22)3-4-10(21)17(12)24-2/h3-6,21H,7H2,1-2H3 |
| Smiles | COC1=C2C(=C3C4=C(C=CC(=C4OC)O)C(=O)C5=NC=CC1=C35)OCO2 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chukrasia Tabularis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lindera Chunii (Plant) Rel Props:Source_db:cmaup_ingredients