Daibucarboline C
PubChem CID: 56925915
Connections displayed (default: 10).
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| Compound Synonyms | Daibucarboline C, CHEBI:69069, Q27137409 |
|---|---|
| Topological Polar Surface Area | 90.8 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 777.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-1-[(4-hydroxyphenyl)methyl]-3-methoxy-2,9-dihydropyrido[3,4-b]indol-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C19H16N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GWGAMCKEGNDDJM-UHFFFAOYSA-N |
| Fcsp3 | 0.1052631578947368 |
| Logs | -4.699 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.536 |
| Compound Name | Daibucarboline C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.111 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 336.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5010514 |
| Inchi | InChI=1S/C19H16N2O4/c1-25-16-9-12-17-13(6-7-15(23)19(17)24)21-18(12)14(20-16)8-10-2-4-11(22)5-3-10/h2-7,9,20-23H,8H2,1H3 |
| Smiles | COC1=CC2=C3C(=CC=C(C3=O)O)NC2=C(N1)CC4=CC=C(C=C4)O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Delphinium Occidentale (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Neolitsea Daibuensis (Plant) Rel Props:Source_db:cmaup_ingredients