CHEBI:132641 - chasmanine

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ChEBI Name chasmanine
ChEBI ID CHEBI:132641
Definition A diterpene alkaloid with formula C25H41NO6 that is isolated from several Aconitum species.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C25H41NO6
Net Charge 0
Average Mass 451.597
Monoisotopic Mass 451.29339
InChI InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1
InChIKey DBODJJZRZFZBBD-RIVIBFSZSA-N
SMILES [C@@]123[C@]4([C@@](CN(C1[C@]([C@@H]4OC)([C@@]5([C@@]6([C@]2(C[C@@]([C@@H](OC)C5)([H])[C@@H]6O)[H])[H])O)[H])CC)(COC)CC[C@@H]3OC)[H]
Metabolite of Species Details
Delphinium staphisagria (NCBI:txid104301) Found in aerial part (BTO:0001658). See: PubMed
Aconitum hemsleyanum (NCBI:txid215070) Found in root (BTO:0001188). See: PubMed
Aconitum episcopale (NCBI:txid226106) Found in root (BTO:0001188). See: PubMed
Aconitum kusnezoffii (NCBI:txid239685) Found in root (BTO:0001188). See: PubMed
Aconitum tatsinenense (NCBI:txid286039) Found in root (BTO:0001188). See: PubMed
Aconitum geniculatum (NCBI:txid632155) Found in root (BTO:0001188). See: PubMed
Aconitum kongboense (NCBI:txid632161) Found in root (BTO:0001188). See: PubMed
Aconitum carmichaelii (NCBI:txid85363) Found in root (BTO:0001188). See: PubMed
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): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
Application(s): antifeedant
A substance that prevents pests from feeding.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing chasmanine (CHEBI:132641) has parent hydride aconitane (CHEBI:35911)
chasmanine (CHEBI:132641) has role antifeedant (CHEBI:22583)
chasmanine (CHEBI:132641) has role plant metabolite (CHEBI:76924)
chasmanine (CHEBI:132641) is a bridged compound (CHEBI:35990)
chasmanine (CHEBI:132641) is a diol (CHEBI:23824)
chasmanine (CHEBI:132641) is a diterpene alkaloid (CHEBI:23847)
chasmanine (CHEBI:132641) is a organic heteropolycyclic compound (CHEBI:38166)
chasmanine (CHEBI:132641) is a polyether (CHEBI:46774)
chasmanine (CHEBI:132641) is a secondary alcohol (CHEBI:35681)
chasmanine (CHEBI:132641) is a tertiary alcohol (CHEBI:26878)
chasmanine (CHEBI:132641) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
20-ethyl-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitane-8,14α-diol
Synonyms Sources
(1α,6α,14α,16β)-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-8,14-diol IUPAC
Toroko base II ChemIDplus
Manual Xrefs Databases
20055812 PubChem
C00028038 KNApSAcK
CN101037412 Patent
View more database links
Registry Numbers Types Sources
50490 Reaxys Registry Number Reaxys
5066-78-4 CAS Registry Number ChemIDplus
5066-78-4 CAS Registry Number KNApSAcK
7945618 Reaxys Registry Number Reaxys
9454564 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10978212 PubMed citation Europe PMC
12736463 PubMed citation Europe PMC
17401992 PubMed citation Europe PMC
19894536 PubMed citation Europe PMC
21417277 PubMed citation Europe PMC
22530673 PubMed citation Europe PMC
22628040 PubMed citation Europe PMC
266313 Chinese Abstracts citation Europe PMC
27183898 PubMed citation Europe PMC
300080 Chinese Abstracts citation Europe PMC
321709 Chinese Abstracts citation Europe PMC
331924 Chinese Abstracts citation Europe PMC
335013 Chinese Abstracts citation Europe PMC
337598 Chinese Abstracts citation Europe PMC
337610 Chinese Abstracts citation Europe PMC
364496 Chinese Abstracts citation Europe PMC
377474 Chinese Abstracts citation Europe PMC
377646 Chinese Abstracts citation Europe PMC
Last Modified
14 December 2016