10-Hydroxycamptothecin
PubChem CID: 97226
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| Compound Synonyms | 10-Hydroxycamptothecin, 19685-09-7, (S)-10-Hydroxycamptothecin, Hydroxycamptothecin, 10-hydroxycamptothecine, 10-Hydroxy camptothecin, Hydroxycamptothecine, Camptothecin, hydroxy-, (4S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, (S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, Camptothecine, 10-hydroxy-, Camptothecin, 10-hydroxy-, 10-HCPT, NSC 107124, 10-Hydroxy-Camptothecin, (S)-10-Hydroxycamptothecin hydrate, UNII-9Z01632KRV, 9Z01632KRV, MFCD02093100, NSC107124, NSC-107124, CHEMBL273862, CHEBI:81395, (+)-10-HYDROXYCAMPTOTHECIN, Hydroxy camptothecine, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4,9-dihydroxy-, hydrate, (S)-, 10-HYDROXYCAMPTOTHECIN [WHO-DD], (S)-4-ethyl-4,9-dihydroxy-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H)-dione, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione-,4-ethyl-4,9-dihydroxy-, (S)-, (19S)-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, (20S)-4-Ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione, (S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione ((S)-10-Hydroxycamptothecin), 1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H,12H)-DIONE, 4-ETHYL-4,9-DIHYDROXY-, (4S)-, CAMPTOTHECIN, 10-HYDROXY, 10-Hydroxy-CPT, Spectrum_001639, (+)-(S)-10-HYDROXYCAMPTOTHECIN, SpecPlus_000763, Spectrum2_001660, Spectrum3_001621, Spectrum4_001815, Spectrum5_000549, ethyl(dihydroxy)[?]dione, SCHEMBL25875, BSPBio_003281, KBioGR_002454, KBioSS_002119, DivK1c_006859, SPECTRUM1504123, SPBio_001819, HY-N0095R, KBio1_001803, KBio2_002119, KBio2_004687, KBio2_007255, KBio3_002501, DTXSID00941444, EX-A988, Camptothecine, 10-hydroxy-(8CI), BCP01385, HY-N0095, BDBM50008922, CCG-38770, s2423, s3898, AKOS015919293, AC-5502, BCP9000058, CS-5193, DB12385, (S)-10-Hydroxycamptothecin (Standard), NCGC00095986-01, NCGC00095986-02, NCGC00095986-03, NCGC00095986-04, NCGC00178165-01, AC-13221, AS-13196, NCI60_000173, SY010687, H1463, NS00018317, C17939, EN300-19810684, SR-05000002620, SR-05000002620-1, BRD-K63784565-001-02-1, BRD-K63784565-001-03-9, BRD-K63784565-001-05-4, BRD-K63784565-001-06-2, Q27155328, Z3093896188, 4-Ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione, (19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione, (S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3 inverted exclamation mark ,4 inverted exclamation mark :6,7]indolizino[1,2-b]quinoline-3,14-(4H,12H)-dione, (S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-(4H,12H)-dione, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione-,4-ethyl-4,9-dihydroxy-, (S)-(9CI), 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione-,4-ethyl-4,9-dihydroxy-, (S)-, 4-Ethyl-4,10-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione, 4-Ethyl-4,9-dihydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (10-hydroxycamptothecin), 613-598-9 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P02768, P11387, n.a., Q03164, P55210, Q16637, P51450, P97697, P02791, P68871, P29466, P08684, Q92830, O42275, P81908, Q9NUW8, P0DTD1 |
| Iupac Name | (19S)-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 |
| Target Id | NPT143, NPT1226, NPT93, NPT2930, NPT277, NPT109 |
| Xlogp | 0.6 |
| Molecular Formula | C20H16N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HAWSQZCWOQZXHI-FQEVSTJZSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.238 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.327 |
| Compound Name | 10-Hydroxycamptothecin |
| 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 |
| 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/t20-/m0/s1 |
| Smiles | CC[C@@]1(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 |
- 1. Outgoing r'ship
FOUND_INto/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all