(R)-4-Ethyl-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione
PubChem CID: 169724
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| Compound Synonyms | (R)-4-Ethyl-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 35903-41-4, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-, (R)-, alpha-Deoxycamptothecin, 20-deoxy camptothecin, CHEMBL71339, SCHEMBL5803265, DTXSID30189478, PEZXVOHRDBYBFR-CYBMUJFWSA-N, (19R)-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 |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (19R)-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-CYBMUJFWSA-N |
| Fcsp3 | 0.25 |
| Logs | -6.136 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.437 |
| Compound Name | (R)-4-Ethyl-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione |
| 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 | -4.475425800000001 |
| 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/t13-/m1/s1 |
| Smiles | CC[C@@H]1C2=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