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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:callophycoic acid H
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Accession:CHEBI:65564 term browser browse the term
Definition:A monohydroxybenzoic acid that is 3-bromo-4-hydroxybenzoic acid substituted at position 5 by a decahydronaphthalen-1-ylmethyl group which in turn is substituted by a bromo, two methyl groups, a methylidene and a 4-methylpent-3-en-1-yl group at positions 6, 5, 8a, 2 and 5 respectively. A diterpenoid isolated from the Fijian red alga Callophycus serratus, it exhibits antibacterial, antimalarial and anticancer activities.
Synonyms:exact_synonym: 3-bromo-5-{[(1R,4aS,5R,6R,8aS)-6-bromo-5,8a-dimethyl-2-methylidene-5-(4-methyl-3-penten-1-yl)decahydro-1-naphthalenyl]methyl}-4-hydroxybenzoic acid
 related_synonym: Formula=C27H36Br2O3;   InChI=1S/C27H36Br2O3/c1-16(2)7-6-11-27(5)22-9-8-17(3)20(26(22,4)12-10-23(27)29)14-18-13-19(25(31)32)15-21(28)24(18)30/h7,13,15,20,22-23,30H,3,6,8-12,14H2,1-2,4-5H3,(H,31,32)/t20-,22+,23-,26+,27-/m1/s1;   InChIKey=JGBUIUFDBKKZNT-WBNSUDINSA-N;   SMILES=[H][C@]12CCC(=C)[C@@H](Cc3cc(cc(Br)c3O)C(O)=O)[C@]1(C)CC[C@@H](Br)[C@]2(C)CCC=C(C)C
 xref: Chemspider:27023093;   PMID:17715978;   Reaxys:11167778


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            callophycoic acid H 0
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                    p-block element atom 0
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                        carbon atom 0
                          organic molecular entity 0
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                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      aromatic carboxylic acid 0
                                        benzoic acids 0
                                          benzoic acid 0
                                            hydroxybenzoic acid 0
                                              monohydroxybenzoic acid 0
                                                callophycoic acid H 0
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