Lindechunine B
PubChem CID: 497802
Connections displayed (default: 10).
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| Compound Synonyms | Lindechunine B, 5H-1,3-Benzodioxolo[6,5,4-de][1,3]benzodioxolo[5,6-g]quinolin-13-ol, 6,7,7a,8-tetrahydro-, (7aS)- |
|---|---|
| Topological Polar Surface Area | 69.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (12S)-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1(23),2,4(8),9,16,18(22)-hexaen-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C18H15NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BHCFQRZCSLOBQJ-JTQLQIEISA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.319 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.31 |
| Compound Name | Lindechunine B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 325.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 325.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 325.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6759336000000005 |
| Inchi | InChI=1S/C18H15NO5/c20-16-14-9(5-12-18(16)24-7-22-12)3-10-13-8(1-2-19-10)4-11-17(15(13)14)23-6-21-11/h4-5,10,19-20H,1-3,6-7H2/t10-/m0/s1 |
| Smiles | C1CN[C@H]2CC3=CC4=C(C(=C3C5=C2C1=CC6=C5OCO6)O)OCO4 |
| Nring | 6.0 |
| 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