Dehydrocoelenterazine
PubChem CID: 135449979
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| Compound Synonyms | Dehydrocoelenterazine, dehydro-coelenterazine, SCHEMBL14408414, 4-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methylidene]cyclohexa-2,5-dien-1-one |
|---|---|
| Topological Polar Surface Area | 87.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 746.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methylidene]cyclohexa-2,5-dien-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C26H19N3O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LVZMHPVASFUXAU-UHFFFAOYSA-N |
| Fcsp3 | 0.0384615384615384 |
| Logs | -4.364 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.065 |
| Compound Name | Dehydrocoelenterazine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 421.143 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 421.143 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 421.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.9740772 |
| Inchi | InChI=1S/C26H19N3O3/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,15-16,31-32H,14H2 |
| Smiles | C1=CC=C(C=C1)CC2=NC(=CN3C2=NC(=C3O)C=C4C=CC(=O)C=C4)C5=CC=C(C=C5)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dimocarpus Longan (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lilium Brownii (Plant) Rel Props:Source_db:cmaup_ingredients