Erythribyssin B
PubChem CID: 46879997
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| Compound Synonyms | Erythribyssin B, CHEMBL1079406, (6aR,11aR)-3,9-dihydroxy-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromene-10-carbaldehyde, (6aR,11aR)-3,9-dihydroxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-10-carbaldehyde, BDBM50311573 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P18031 |
| Iupac Name | (6aR,11aR)-3,9-dihydroxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-10-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C16H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FJZRCLCBDONNNU-LRDDRELGSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.48 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.373 |
| Compound Name | Erythribyssin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5091125428571432 |
| Inchi | InChI=1S/C16H12O5/c17-6-11-13(19)4-3-9-12-7-20-14-5-8(18)1-2-10(14)16(12)21-15(9)11/h1-6,12,16,18-19H,7H2/t12-,16-/m0/s1 |
| Smiles | C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4C=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all