CHEBI:166826 - colforsin daropate

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ChEBI Name colforsin daropate
ChEBI ID CHEBI:166826
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H43NO8
Net Charge 0
Average Mass 509.640
Monoisotopic Mass 509.29887
InChI InChI=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
InChIKey RSOZZQTUMVBTMR-XGUNBQNXSA-N
SMILES [H][C@@]12[C@H](OC(=O)CCN(C)C)[C@H](OC(C)=O)[C@@]3(C)O[C@](C)(CC(=O)[C@]3(O)[C@@]1(C)[C@@H](O)CCC2(C)C)C=C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): adenylate cyclase agonist
Any agonist of one or more of the isoforms of adenylate cyclase (EC 4.6.1.1).
Application(s): cardiotonic drug
A drug that has a strengthening effect on the heart or that can increase cardiac output.
vasodilator agent
A drug used to cause dilation of the blood vessels.
antihypertensive agent
Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(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-alaninate IUPAC
6-(3-dimethylaminopropionyl)forskolin ChEBI
colforsin dapropate ChEBI
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 ester ChEBI
Manual Xref Database
729 DrugCentral
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Registry Number Type Source
113462-26-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11939921 PubMed citation Europe PMC
12374721 PubMed citation Europe PMC
12499623 PubMed citation Europe PMC
12651654 PubMed citation Europe PMC
12826837 PubMed citation Europe PMC
14726224 PubMed citation Europe PMC
15160663 PubMed citation Europe PMC
15976198 PubMed citation Europe PMC
19953235 PubMed citation Europe PMC
22610350 PubMed citation Europe PMC
23439833 PubMed citation Europe PMC
23439837 PubMed citation Europe PMC
23625548 PubMed citation Europe PMC
Last Modified
12 November 2020