Deoxycamptothecin
PubChem CID: 266552
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Deoxycamptothecin, Camptothecin-OH, NSC105132, SCHEMBL5803262, CHEMBL1975782, PEZXVOHRDBYBFR-UHFFFAOYSA-N, NSC-105132, NCI60_000126, 4-ethyl-1,12-dihydro-14h-pyrano[3',4':6,7]indolizino[1,2-b]-quinoline-3,14(4h)-dione |
|---|---|
| Topological Polar Surface Area | 59.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 695.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 19-ethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C20H16N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PEZXVOHRDBYBFR-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -6.136 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.437 |
| Compound Name | Deoxycamptothecin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.116 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 332.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4754258 |
| Inchi | InChI=1S/C20H16N2O3/c1-2-13-14-8-17-18-12(7-11-5-3-4-6-16(11)21-18)9-22(17)19(23)15(14)10-25-20(13)24/h3-8,13H,2,9-10H2,1H3 |
| Smiles | CCC1C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all