velban

chemical compound

Wikidata entity: Q105136630

C₄₆H₅₈N₄O₉ (P274)



Quantities

P2067mass810.420379436

P233 canonical SMILES String O=C(OC1C(O)(C(=O)OC)C2N(C3=CC(OC)=C(C=C3C42CCN5CC=CC1(CC)C54)C6(C(=O)OC)C=7NC=8C=CC=CC8C7CCN9CC(CC(O)(C9)CC)C6)C)C ???
P703 found in taxon ... Q161093 (Catharanthus roseus) Catharanthus roseus
P703 found in taxon ... Q771101 (Diospyros lotus) Diospyros lotus
P703 found in taxon ... Q6947141 (Mycoleptodiscus) Mycoleptodiscus
P703 found in taxon ... Q15334775 (Catharanthus trichophyllus) Catharanthus trichophyllus
P703 found in taxon ... Q15377742 (Tabernaemontana laeta) Tabernaemontana laeta
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ???
P129 physically interacts with ... Q21102151 (Tubulin beta 2B class IIb) Tubulin beta 2B class IIb
P129 physically interacts with ... Q21105328 (Tubulin alpha 1b) Tubulin alpha 1b
P129 physically interacts with ... Q21114332 (Tubulin beta class I) Tubulin beta class I
P129 physically interacts with ... Q21118866 (Tubulin alpha 3e) Tubulin alpha 3e
P129 physically interacts with ... Q21123463 (Tubulin beta 4B class IVb) Tubulin beta 4B class IVb
P129 physically interacts with ... Q21123465 (Tubulin beta 2A class IIa) Tubulin beta 2A class IIa
P129 physically interacts with ... Q21123475 (Tubulin beta 6 class V) Tubulin beta 6 class V
P129 physically interacts with ... Q21132972 (Tubulin alpha 1a) Tubulin alpha 1a
P129 physically interacts with ... Q21134233 (Tubulin beta 8 class VIII) Tubulin beta 8 class VIII
P129 physically interacts with ... Q21135789 (Tubulin alpha 1c) Tubulin alpha 1c
P129 physically interacts with ... Q21135791 (Tubulin beta 1 class VI) Tubulin beta 1 class VI
P129 physically interacts with ... Q21140459 (Tubulin alpha-4A chain) Tubulin alpha-4A chain
P129 physically interacts with ... Q21144142 (Tubulin beta-4A chain) Tubulin beta-4A chain
P129 physically interacts with ... Q21151823 (Tubulin beta-3 chain) Tubulin beta-3 chain
P129 physically interacts with ... Q57409116 (Tubulin alpha 3c) Tubulin alpha 3c
P3364 stereoisomer of ... Q27257068 (vinrosidine) vinrosidine
P279 subclass of ... Q105136628 (???) ???
P279 subclass of ... Q105136631 (???) ???
P279 subclass of ... Q105136639 (???) ???

External Ids
P231CAS Registry Number865-21-4
P592ChEMBL IDCHEMBL159
P715DrugBank IDDB00570
P11198DrugCentral ID2823
P3117DSSTox substance IDDTXSID8021430
P595Guide to Pharmacology Ligand ID6851
P234InChIInChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
P235InChIKeyJXLYSJRDGCGARV-CFWMRBGOSA-N
P11199Probes And Drugs IDPD013748
P662PubChem CID13342
P2877SureChEMBL ID3628
P2877SureChEMBL ID3629
P11089UniChem compound ID311115
P652UNII5V9KLZ54CY

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