Arisugacin B
Grundinformationen
- CAS
182068-83-3- Standard-SMILES
COc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)C(=O)C=CC(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc1- InChIKey
FNHNBWWIASUEQH-HVWQDESWSA-N- Summenformel
- C27H30O7
- Durchschnittliche Molmasse
- 466,5 g/mol
Überblick
Arisugacin B is an organic heterotetracyclic compound that is 4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione substituted by a 4-methoxyphenyl group at position 9 (the 4aR,6aR,12aS,12bS steroisomer). Isolated from the culture broth of Penicillium, it acts as a selective inhibitor of acetylcholinesterase. It has a role as an antimicrobial agent, an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a Penicillium metabolite. It is a delta-lactone, a tertiary alcohol, an aromatic ether, an organic heterotetracyclic compound and an enone.
Namen und Bezeichner
- Bevorzugter Name
- Arisugacin B
- IUPAC
- (1S,2S,7R,10R)-1,7-dihydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-4,12(17),13-triene-3,16-dione
- Englischer Name
- ARISUGACINB
- Summenformel
- C27H30O7
- Molmasse
- 466.53
Namen und Synonyme
Arisugacin BCHEBI:65436(4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-9-(4-methoxyphenyl)-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione(1S,2S,7R,10R)-1,7-dihydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-4,12(17),13-triene-3,16-dione182068-83-3(1S,2S,7R,10R)-1,7-dihydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo(8.8.0.02,7.012,17)octadeca-4,12(17),13-triene-3,16-dione(4aR,6aR,12aS,12bS)-4a,12a-dihydroxy-9-(4-methoxyphenyl)-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo(f)pyrano(4,3-b)chromene-1,11(5H)-dioneRefChem:114074CHEMBL278342orb2942976SCHEMBL24210600BDBM50089621
Weitere Namen anzeigen
ARISUGACINB
TN9080Q271338814a,12a-Dihydroxy-9-(4-methoxy-phenyl)-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,5H-7,10-dioxa-benzo[a]anthracene-1,11-dione
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 102 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 1.030
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