4-Ethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione
PubChem CID: 4330531
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| Compound Synonyms | 10-Hydroxycamptothecin, 64439-81-2, (+/-)-10-Hydroxycamptothecin, 4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, ( inverted exclamation markA)-10-Hydroxycamptothecin, MFCD09027971, 19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione, 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4,9-dihydroxy-, (A+/-)-, Hydroxy camptothecine, 4-Ethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, Neuro_000051, CHEMBL90124, 10-Hydroxycamptothecin acetate, SCHEMBL9384413, DTXSID501125515, BCP10548, HY-N0275, STL565783, (+/-)-10-HCPT, AKOS015901897, FH16009, AS-74592, SY311865, CS-0008775, (+/-)-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLINE-3,14(4H,12H)-DIONE, 19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0(2),(1)(1).0?,?.0(1)?,(2)?]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione, 4-Ethyl-4,9-dihydroxy-1H-pyrano[3a(2),4a(2):6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione |
|---|---|
| Topological Polar Surface Area | 100.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 774.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione |
| Prediction Hob | 1.0 |
| Class | Camptothecins |
| Target Id | NPT48, NPT93, NPT94 |
| Xlogp | 0.6 |
| Superclass | Alkaloids and derivatives |
| Molecular Formula | C20H16N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HAWSQZCWOQZXHI-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.345 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.452 |
| Synonyms | 10-Hydroxycamptothecine |
| Compound Name | 4-Ethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 364.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.106 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 364.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.9331319185185194 |
| Inchi | InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3 |
| Smiles | CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Camptothecins |
- 1. Outgoing r'ship
FOUND_INto/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients