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Camptothecin

PubChem CID: 24360

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Compound Synonyms camptothecin, Camptothecine, 7689-03-4, (S)-(+)-Camptothecin, Campathecin, (+)-Camptothecin, d-Camptothecin, (+)-Camptothecine, 20(S)-Camptothecine, 21,22-Secocamptothecin-21-oic acid lactone, NSC94600, d-camptothecine, (s)-camptothecine, NSC-94600, XT3Z54Z28A, Camptothecine (8CI), CHEBI:27656, Camptothecine (S,+), CHEMBL65, (4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, (S)-4-ethyl-4-hydroxy-1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, CAMPTOTHECIN [MI], MFCD00081076, (19S)-19-ethyl-19-hydroxy-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, CAMPTOTHECIN [WHO-DD], MLS000766223, CCRIS 8162, DTXSID0030956, NSC 94600, BRN 0631069, AI3-62475, NSC 100880, (19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (4S)-, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-, 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (4S)-, (S)-Camptothecin, (4S)-4-ETHYL-4-HYDROXY-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H,12H)-DIONE, 20(S)-Camptothecin, 4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE, SR-01000075798, SR-01000597379, Camptothecin,(S), (19S)-19-ethyl-19-hydroxy-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, (S)-4-ethyl-4-hydroxy-1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, (S)-4-ethyl-4-hydroxy-1H-pyrano-(3',4':6,7)indolozino(1,2-b)quinoline-3,14(4H,12H)-dione, (S)-4-ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolozino[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-hydroxy-, (S)-, Prestwick_102, Spectrum_000299, Tocris-1100, 20-(S)-camptothecine, SpecPlus_000712, Prestwick0_000200, Prestwick1_000200, Prestwick2_000200, Prestwick3_000200, Spectrum2_000903, Spectrum3_001203, Spectrum4_000738, Spectrum5_001126, Lopac-C-9911, SCHEMBL6038, UNII-XT3Z54Z28A, Lopac0_000341, BSPBio_000159, BSPBio_002586, KBioGR_001036, KBioSS_000779, KBioSS_002283, cid_24360, DivK1c_000826, DivK1c_006808, SPECTRUM1502232, SPBio_000746, SPBio_002080, BPBio1_000175, DTXCID8010956, HMS502J08, KBio1_000826, KBio1_001752, KBio2_000779, KBio2_003347, KBio2_005915, KBio3_002086, 4-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, NINDS_000826, Bio1_000400, Bio1_000889, Bio1_001378, GLXC-10346, HMS1568H21, HMS1921N08, HMS2089F08, HMS2095H21, HMS3261E03, HMS3414J17, HMS3654D13, HMS3678J15, HMS3712H21, BCP02857, Tox21_500341, AC-202, BBL033963, BDBM50008923, CCG-40255, GR-301, s1288, STK801886, AKOS004119861, CS-1049, DB04690, FC15450, KS-5235, LP00341, SDCCGMLS-0066688.P001, SDCCGSBI-0050329.P003, CAS-2114454, IDI1_000826, NCGC00015290-01, NCGC00016994-01, NCGC00016994-02, NCGC00016994-03, NCGC00016994-04, NCGC00016994-05, NCGC00016994-06, NCGC00016994-07, NCGC00016994-08, NCGC00016994-09, NCGC00016994-10, NCGC00016994-11, NCGC00016994-12, NCGC00016994-16, NCGC00016994-19, NCGC00016994-23, NCGC00016994-29, NCGC00024997-01, NCGC00024997-02, NCGC00024997-03, NCGC00024997-04, NCGC00024997-05, NCGC00024997-06, NCGC00178592-01, NCGC00178592-02, NCGC00261026-01, 1ST40312, HY-16560, NCI60_042105, SMR000445686, SY010324, EU-0100341, NS00011856, SW196414-3, 21, 22-Secocamptothecin-21-oic acid lactone, C 9911, C01897, M01564, AB00052452-08, AB00052452-09, AB00052452_10, EN300-1725804, (S)-(+)-Camptothecin, >=90% (HPLC), powder, Q419964, SR-01000075798-1, SR-01000075798-4, SR-01000597379-1, SR-01000597379-3, BRD-K37890730-001-09-4, BRD-K37890730-001-10-2, BRD-K37890730-001-15-1, BRD-K37890730-001-16-9, BRD-K37890730-001-17-7, Z1741982070, (S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]florene-3,13-dione, (S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione, 4-Ethyl-4-hydroxy-1H-pyrano-[3,4:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-Ethyl-4-hydroxy-1H-pyrano-[3[,4[:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, (19S)-19-ethyl-19-hydroxy-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-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione, Camptothecine, (S)-4-Ethyl-4-hydroxy-1H-pyrano[3 inverted exclamation mark ,4 inverted exclamation mark :6,7]indolizino[1,2-b]quinoline-3,14-(4H,12H)-dione, 1H-Pyrano(3',3'.6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4hydroxy-(S)-, 1H-Pyrano[3',3'.6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4hydroxy-(S)-(9CI), 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-, 4(S)-Ethyl-4-hydroxy-1H-pyrano-[3',4':6,7]indolizino[1,2-b]quinoline-3,14 (4H,12H)-dione, 4-ethyl-4-hydroxy-(4S)-3,4,12,14-tetrahydro-1H-pyrano[3'',4'':6,7]indolizino[1,2-b]quinoline-3,14-dione, 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (camptothecin or CPT), 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (Camptothecin), 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (CPT, Camptothecin)
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 79.7
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC1CCC2C(C1)CC1C3CC4CCCCC4CC3CC1C2C
Np Classifier Class Pyrroloquinoline alkaloids
Deep Smiles CC[C@@]O)C=O)OCcc6cc-cncccccc6cc%10Cn%13c%17=O
Heavy Atom Count 26.0
Classyfire Class Camptothecins
Scaffold Graph Node Level OC1CC2CC3C4NC5CCCCC5CC4CN3C(O)C2CO1
Isotope Atom Count 0.0
Molecular Complexity 742.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id P02768, P11387, Q04750, Q7ZJM1, n.a., P22303, Q02880, P32745, Q9NJG8, O14757, A0JN73, Q7YR26, P11388, P61823, P00639, O62855, P00970, P23940, P00642, P43870, P00640, O52691, O14746, Q72547, P02545, P19838, Q99714, B2RXH2, P42858, P68871, P51151, Q16637, P16473, P42345, P25779, P33261, P51450, Q16665, P00352, Q01453, P10253, P16050, P02791, Q9NZJ5, P15917, P54132, P15428, P06280, P40225, Q653V4, P97697, P04637, P08684, Q9HBX9, O75496, P04062, Q96QE3, Q16236, Q92830, Q99549, O89049, Q96KQ7, P83916, P05177, Q9UNA4, P49798, P41595, P09651, Q99700, Q95Z89, O42275, P81908, Q9NUW8, Q9Y6L6, Q9NPD5, Q9NR56, P02787, P02769, O95551, O95342, Q92887, O15438, O15439, Q2HPH0, F1MN93, P0DTD1
Iupac Name (19S)-19-ethyl-19-hydroxy-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
Veber Rule True
Classyfire Superclass Alkaloids and derivatives
Target Id NPT143, NPT1608, NPT483, NPT163, NPT149, NPT48, NPT1197, NPT2930, NPT537, NPT93, NPT210, NPT940, NPT213, NPT211, NPT94, NPT796, NPT60, NPT792, NPT58, NPT151, NPT501, NPT96, NPT539, NPT109, NPT2944, NPT10, NPT208, NPT291, NPT1028, NPT4907, NPT50
Xlogp 1.0
Gsk 4 400 Rule True
Molecular Formula C20H16N2O4
Scaffold Graph Node Bond Level O=C1Cc2cc3n(c(=O)c2CO1)Cc1cc2ccccc2nc1-3
Prediction Swissadme 0.0
Inchi Key VSJKWCGYPAHWDS-FQEVSTJZSA-N
Silicos It Class Moderately soluble
Fcsp3 0.25
Logs -4.418
Rotatable Bond Count 1.0
Logd 1.502
Synonyms camptothecin, camptothecine
Esol Class Soluble
Functional Groups CO, COC(C)=O, c=O, cn(c)C, cnc
Compound Name Camptothecin
Prediction Hob Swissadme 0.0
Exact Mass 348.111
Formal Charge 0.0
Monoisotopic Mass 348.111
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 348.4
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -4.077604215384617
Inchi InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
Smiles CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
Nring 5.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Tryptophan alkaloids

  • 1. Outgoing r'ship FOUND_IN to/from Aquilaria Malaccensis (Plant) Rel Props:Source_db:npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Aristolochia Triangularis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Caesalpinia Minax (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Casearia Sylvestris (Plant) Rel Props:Source_db:npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Crescentia Cujete (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Croton Tonkinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Datura Quercifolia (Plant) Rel Props:Source_db:npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Ervatamia Heyneana (Plant) Rel Props:Source_db:npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Eucalyptus Globulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Hibiscus Syriacus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Idesia Polycarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Ipomoea Alba (Plant) Rel Props:Source_db:npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Iris Versicolor (Plant) Rel Props:Source_db:npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Natsiatum Herpeticum (Plant) Rel Props:Reference:ISBN:9770972795006
  • 16. Outgoing r'ship FOUND_IN to/from Nothapodytes Nimmoniana (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042084; ISBN:9788185042114; ISBN:9788185042145
  • 17. Outgoing r'ship FOUND_IN to/from Ophiorrhiza Mungos (Plant) Rel Props:Reference:ISBN:9788172361792; ISBN:9788185042084
  • 18. Outgoing r'ship FOUND_IN to/from Orobanche Aegyptiaca (Plant) Rel Props:Reference:ISBN:9788185042114
  • 19. Outgoing r'ship FOUND_IN to/from Pratia Nummularia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Strychnos Icaja (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Syzygium Claviflorum (Plant) Rel Props:Source_db:npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Tabernaemontana Alternifolia (Plant) Rel Props:Reference:ISBN:9770972795006
  • 23. Outgoing r'ship FOUND_IN to/from Taxus Sumatrana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Thalictrum Cultratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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