7-Ethyl-10-hydroxycamptothecin
PubChem CID: 104842
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| Compound Synonyms | 7-Ethyl-10-hydroxycamptothecin, 86639-52-3, SN-38, SN 38 lactone, SN 38, 7-Ethyl-10-hydroxy-camptothecin, (S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 10-Hydroxy-7-ethylcamptothecin, SN38, 7-Ethyl-10-hydroxy-20(S)-camptothecin, NK 012, NK-012, NK012, CHEBI:8988, (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione, 113015-38-6, IT-141, NSC673596, 0H43101T0J, (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, CAMPTOTHECIN, 7-ETHYL-10-HYDROXY-, (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, MFCD00871873, 7-ethyl-10-hydroxy-20(s)-campthothecin, LE-SN38, Captothecin, 7-ethyl-10-hydroxy-, UNII-0H43101T0J, C22H20N2O5, 1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H,12H)-DIONE, 4,11-DIETHYL-4,9-DIHYDROXY-, (4S)-, 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (4S)-, AvaChem1025, SN-38 (Standard), (+)-7-ETHYL-10-HYDROXYCAMPTOTHECIN, diethyl(dihydroxy)[?]dione, SCHEMBL34018, GTPL6925, SN 38 [WHO-DD], DTXSID4040399, 10-hydroxy-7-ethyl camptothecin, 10-hydroxy-7-ethyl-camptothecin, EX-A989, HMS3413B12, HMS3652P12, HMS3677B12, HMS3753E15, BCP01386, 7-Ethyl-10-hydroxy-20(S)-CPT, BDBM50418088, HY-13704R, s4908, AKOS015920433, AC-1357, BCP9000200, CCG-264764, CS-1579, DB05482, FE29579, NSC-673596, SN-38(NK-012)?, NCGC00167831-01, NCGC00167831-05, 110714-48-2, AS-13533, BP-24513, HY-13704, NCI60_026056, 7-Ethyl-10-hydroxy-20-(S)-camptothecine, E0748, NS00069821, SW219948-1, S-(+)-7-ETHYL-10-HYDROXYCAMPOTHECIN, EN300-122379, Q1750127, BRD-K89561498-001-01-7, BRD-K89561498-001-02-5, 7-Ethyl-10-hydroxycamptothecin, >=98% (HPLC), powder, Z1541759909, (19S)-10,19-diethyl-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, (19S)-10,19-diethyl-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, (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)dione, AldrichCPR, (S)-4,11-Diethyl-4,9-di-OH-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione, 1H-Pyrano[3',7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (4S)-, 7-Ethyl-10-hydroxycamptothecin ((S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione), H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (S)-, RS4 |
|---|---|
| Topological Polar Surface Area | 100.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 820.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q9BY64, P06133, P22310, P36537, P16662, P54855, Q9Y4X1, P22309, O60656, Q9HAW9, P35503, Q9HAW8, O75795, P19224, P35504, O75310, Q9HAW7, P23141, O00748, P08236, Q6UWM9 |
| Iupac Name | (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione |
| Prediction Hob | 1.0 |
| Class | Camptothecins |
| Target Id | NPT143, NPT109, NPT1422, NPT901 |
| Xlogp | 1.4 |
| Superclass | Alkaloids and derivatives |
| Molecular Formula | C22H20N2O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FJHBVJOVLFPMQE-QFIPXVFZSA-N |
| Fcsp3 | 0.3181818181818182 |
| Logs | -4.252 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.577 |
| Synonyms | 10-Hydroxy-7-ethylcamptothecin, 7-Ethyl-10-hydroxy-20(S)-camptothecin, 7-Ethyl-10-hydroxycamptothecin, sn 38, sn 38 Lactone, CPT 11, Camptosar, Irrinotecan, Camptothecin-11, Irinotecan hydrochloride, CPT-11, sn38 CPD, Irinotecan, NK012 Compound, CPT11, 7 Ethyl 10 hydroxycamptothecin, Camptothecin 11 |
| Compound Name | 7-Ethyl-10-hydroxycamptothecin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 392.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.137 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 392.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -4.514824062068966 |
| Inchi | InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1 |
| Smiles | CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Camptothecins |
- 1. Outgoing r'ship
FOUND_INto/from Tabernaemontana Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients