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CHEBI:166826 - colforsin daropate

ChEBI IDCHEBI:166826
ChEBI Namecolforsin daropate
Stars
DefinitionA carboxylic ester resuting from the formal condensation of the carboxy group of N,N-dimethyl-β-alanine with the 6-hydroxy group of forskolin. It is an adenylate cyclase activator.
Last Modified12 November 2020
SubmitterAdnan
DownloadsMolfile
FormulaC27H43NO8
Net Charge0
Average Mass509.640
Monoisotopic Mass509.29887
SMILES[H][C@@]12[C@H](OC(=O)CCN(C)C)[C@H](OC(C)=O)[C@@]3(C)O[C@@](C)(C=C)CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C
InChIInChI=1S/C27H43NO8/c1-10-24(5)15-18(31)27(33)25(6)17(30)11-13-23(3,4)21(25)20(35-19(32)12-14-28(8)9)22(34-16(2)29)26(27,7)36-24/h10,17,20-22,30,33H,1,11-15H2,2-9H3/t17-,20-,21-,22-,24-,25-,26+,27-/m0/s1
InChIKeyRSOZZQTUMVBTMR-XGUNBQNXSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
adenylate cyclase agonist  Any agonist of one or more of the isoforms of adenylate cyclase (EC 4.6.1.1).
Applications:
cardiotonic drug  A drug that has a strengthening effect on the heart or that can increase cardiac output.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
colforsin daropate (CHEBI:166826) has functional parent forskolin (CHEBI:42471)
colforsin daropate (CHEBI:166826) has role adenylate cyclase agonist (CHEBI:78548)
colforsin daropate (CHEBI:166826) has role antihypertensive agent (CHEBI:35674)
colforsin daropate (CHEBI:166826) has role cardiotonic drug (CHEBI:38147)
colforsin daropate (CHEBI:166826) has role vasodilator agent (CHEBI:35620)
colforsin daropate (CHEBI:166826) is a acetate ester (CHEBI:47622)
colforsin daropate (CHEBI:166826) is a carboxylic ester (CHEBI:33308)
colforsin daropate (CHEBI:166826) is a cyclic ketone (CHEBI:3992)
colforsin daropate (CHEBI:166826) is a diol (CHEBI:23824)
colforsin daropate (CHEBI:166826) is a organic heterotricyclic compound (CHEBI:26979)
colforsin daropate (CHEBI:166826) is a tertiary amino compound (CHEBI:50996)
colforsin daropate (CHEBI:166826) is conjugate base of colforsin daropate(1+) (CHEBI:166832)
Incoming Relation(s)
colforsin daropate(1+) (CHEBI:166832) is conjugate acid of colforsin daropate (CHEBI:166826)
IUPAC Name 
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-6-yl N,N-dimethyl-β-alaninate
Synonyms  Source
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-naphtho[2,1-b]pyran-6-yl N,N-dimethyl-β-alaninateIUPAC
N,N-dimethyl-β-alanine (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10-10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl esterChEBI
colforsin dapropateChEBI
6-(3-dimethylaminopropionyl)forskolinChEBI
Manual XrefsDatabases
729DrugCentral
Registry NumbersSources
CAS:113462-26-3ChemIDplus
Citations