U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H37N3O3
Molecular Weight 475.6224
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TUBULOSINE

SMILES

[H][C@]4(C[C@H]1NCCC2=C1NC3=CC=C(O)C=C23)C[C@]5([H])N(CCC6=CC(OC)=C(OC)C=C56)C[C@@H]4CC

InChI

InChIKey=JRVWIILYWSBUMC-PRUVNFMMSA-N
InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TUBULOSINE
Common Name English
1H-PYRIDO(3,4-B)INDOL-6-OL, 1-(((2S,3R,11BS)-3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2H-BENZO(A)QUINOLIZIN-2-YL)METHYL)-2,3,4,9-TETRAHYDRO-, (1R)-
Systematic Name English
(-)-TUBULOSINE
Common Name English
NSC-131547
Code English
(1R)-1-(((2S,3R,11BS)-3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2H-BENZO(A)QUINOLIZIN-2-YL)METHYL)-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-6-OL
Systematic Name English
1H-PYRIDO(3,4-B)INDOL-6-OL, 1-((3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2H-BENZO(A)QUINOLIZIN-2-YL)METHYL)-2,3,4,9-TETRAHYDRO-, (2S-(2.ALPHA.(S*),3.BETA.,11B.BETA.))-
Systematic Name English
TUBULOSAN-8'-OL, 10,11-DIMETHOXY-
Systematic Name English
Code System Code Type Description
NSC
131547
Created by admin on Sat Dec 16 13:06:44 GMT 2023 , Edited by admin on Sat Dec 16 13:06:44 GMT 2023
PRIMARY
CAS
2632-29-3
Created by admin on Sat Dec 16 13:06:44 GMT 2023 , Edited by admin on Sat Dec 16 13:06:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID701100319
Created by admin on Sat Dec 16 13:06:44 GMT 2023 , Edited by admin on Sat Dec 16 13:06:44 GMT 2023
PRIMARY
FDA UNII
112A6Z7SN5
Created by admin on Sat Dec 16 13:06:44 GMT 2023 , Edited by admin on Sat Dec 16 13:06:44 GMT 2023
PRIMARY
PUBCHEM
72341
Created by admin on Sat Dec 16 13:06:44 GMT 2023 , Edited by admin on Sat Dec 16 13:06:44 GMT 2023
PRIMARY
CHEBI
9775
Created by admin on Sat Dec 16 13:06:44 GMT 2023 , Edited by admin on Sat Dec 16 13:06:44 GMT 2023
PRIMARY