CHEBI:132632 - hokbusine A

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ChEBI Name hokbusine A
ChEBI ID CHEBI:132632
Definition A diterpene alkaloid with formula C32H45NO10, originally isolated from Aconitum jaluense.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C32H45NO10
Net Charge 0
Average Mass 603.702
Monoisotopic Mass 603.30435
InChI InChI=1S/C32H45NO10/c1-33-14-29(15-38-2)18(34)12-19(39-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(42-6,25(35)27(30)41-5)21(24(31)33)22(40-4)23(29)31/h7-11,17-27,34-35,37H,12-15H2,1-6H3/t17-,18-,19+,20-,21+,22+,23-,24?,25+,26-,27+,29+,30-,31+,32-/m1/s1
InChIKey GPKLKIFNFCDMHE-KYSNEVMMSA-N
SMILES [C@@]123C4[C@@]([C@]5([C@H]([C@@H]([C@]6(C[C@@]1([C@@]5([C@H]6OC(C=7C=CC=CC7)=O)[H])[H])O)OC)O)OC)([C@@H]([C@@]2([C@]([C@@H](C[C@@H]3OC)O)(COC)CN4C)[H])OC)[H]
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hokbusine A (CHEBI:132632) has parent hydride aconitane (CHEBI:35911)
hokbusine A (CHEBI:132632) has role plant metabolite (CHEBI:76924)
hokbusine A (CHEBI:132632) is a benzoate ester (CHEBI:36054)
hokbusine A (CHEBI:132632) is a bridged compound (CHEBI:35990)
hokbusine A (CHEBI:132632) is a diterpene alkaloid (CHEBI:23847)
hokbusine A (CHEBI:132632) is a organic heteropolycyclic compound (CHEBI:38166)
hokbusine A (CHEBI:132632) is a polyether (CHEBI:46774)
hokbusine A (CHEBI:132632) is a secondary alcohol (CHEBI:35681)
hokbusine A (CHEBI:132632) is a tertiary alcohol (CHEBI:26878)
hokbusine A (CHEBI:132632) is a tertiary amino compound (CHEBI:50996)
hokbusine A (CHEBI:132632) is a triol (CHEBI:27136)
IUPAC Name
3α,13,15α-trihydroxy-1α,6α,8,16β-tetramethoxy-4-(methoxymethyl)-20-methylaconitan-14α-yl benzoate
Synonym Source
(1α,3α,6α,14α,15α,16β)-3,13,15-trihydroxy-1,6,8,16-tetramethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate IUPAC
Registry Numbers Types Sources
15872212 Reaxys Registry Number Reaxys
5787362 Beilstein Registry Number ChemIDplus
86500-43-8 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
14560917 PubMed citation Europe PMC
Last Modified
25 November 2016