CHEBI:205445 - Penijanthine A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Penijanthine A
ChEBI ID CHEBI:205445
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H33NO3
Net Charge 0
Average Mass 419.565
Monoisotopic Mass 419.24604
InChI InChI=1S/C27H33NO3/c1-15(2)24-21(29)13-18-22(31-24)10-11-26(4)25(3)14-20-23(17(25)9-12-27(18,26)30)16-7-5-6-8-19(16)28-20/h5-8,13,17,21-22,24,28-30H,1,9-12,14H2,2-4H3/t17-,21+,22-,24+,25-,26+,27+/m0/s1
InChIKey WHBHNFDFPCYJCA-PKKYMZQFSA-N
SMILES O1[C@H](C(=C)C)[C@H](O)C=C2[C@@H]1CC[C@]3([C@@]2(O)CC[C@@H]4[C@@]3(CC=5NC6=C(C45)C=CC=C6)C)C
Metabolite of Species Details
Penicillium janthinellum (NCBI:txid5079) See: PubMed
ChEBI Ontology
Outgoing Penijanthine A (CHEBI:205445) is a organic heterotricyclic compound (CHEBI:26979)
Penijanthine A (CHEBI:205445) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2R,5S,7R,8R,11S,14R)-1,2-dimethyl-7-prop-1-en-2-yl-6-oxa-22-azahexacyclo[12.10.0.02,11.05,10.015,23.016,21]tetracosa-9,15(23),16,18,20-pentaene-8,11-diol
Manual Xref Database
78442608 ChemSpider
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