Costatolide
Grundinformationen
- CAS
909-14-8- Standard-SMILES
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)[C@H](C)[C@@H]3O- InChIKey
NIDRYBLTWYFCFV-PZROIBLQSA-N- Summenformel
- C22H26O5
- Durchschnittliche Molmasse
- 370,4 g/mol
- Monoisotopische Masse
- 370,17802393
Überblick
(-)-calanolide B is an organic heterotetracyclic compound that is 11,12-dihydro-2H,6H,10H-dipyrano[2,3-f:2',3'-h]chromen-2-one substituted by a hydroxy group at position 12, methyl groups at positions 6, 6, 10 and 11 and a propyl group at position 4 (the 10S,11R,12S stereoisomer). Isolated from Calophyllum lanigerum var austrocoriaceum and Calophyllum brasiliense, it exhibits potent activity against HIV-1 reverse transcriptase. It has a role as a HIV-1 reverse transcriptase inhibitor and a plant metabolite. It is a delta-lactone, a secondary alcohol, a cyclic ether and an organic heterotetracyclic compound.
Namen und Bezeichner
- Bevorzugter Name
- Costatolide
- IUPAC
- (16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
- Englischer Name
- (-)-calanolide B
- Summenformel
- C22H26O5
- Molmasse
- 370.43884
Namen und Synonyme
Costatolide(16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo(12.4.0.02,7.08,13)octadeca-1(14),2(7),5,8(13),11-pentaen-4-one(16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-oneRefChem:128201(2S)-4-chloro-2-((Z)-1-chloroprop-1-en-2-yl)-5-methyl-2,3-dihydropyran-6-one63023-58-5(-)-Calanolide BCostatolide (Calophyllum)909-14-8CHEMBL7187(+)-(10S,11R,12S)-10,11-trans-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-2H,6H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one(10S,11R,12S)-11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-2H,6H,10H-benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one
Weitere Namen anzeigen
(10S,11R,12S)-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-11,12-dihydro-2H,6H,10H-dipyrano[2,3-f:2',3'-h]chromen-2-one2H,6H,10H-Benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one,11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-,(10S,11R,12S)-2H,6H,10H-Benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one,11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-,(10S,11R,12S)-orb1741093SCHEMBL8927756SCHEMBL29397227CHEBI:65553DTXSID50920087
Datenbank-Bezeichner
- CAS
909-14-8- PubChem CID
- 461128
- DTXSID
DTXSID50920087- ChEMBL
CHEMBL7187- ChEBI
CHEBI:65553- Nikkaji
- J609.263B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 65 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 666
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationAgents used to treat AIDS and/or stop the spread of the HIV infection. These do not include drugs used to treat symptoms or opportunistic infections associated with AIDS.
Anbieter2 Anbieter
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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