fatsicarpain D
Grundinformationen
- CAS
1318005-64-9- Standard-SMILES
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1- InChIKey
KICUTMUDQMLBSF-DDJNVBRHSA-N- Summenformel
- C30H46O3
- Durchschnittliche Molmasse
- 454,7 g/mol
- Monoisotopische Masse
- 454,34469533
Überblick
Fatsicarpain D is a pentacyclic triterpenoid that is oleana-9(11),12-diene substituted by an alpha-hydroxy group at position 3 and a carboxy group at position 28. Isolated from the leaves and twigs of Fatsia polycarpa, it exhibits anti-HBV activity. It has a role as a metabolite, an anti-HBV agent and a plant metabolite. It is a pentacyclic triterpenoid and a hydroxy monocarboxylic acid. It derives from a hydride of an oleanane.
Namen und Bezeichner
- Bevorzugter Name
- fatsicarpain D
- IUPAC
- (4aS,6aR,6bS,8aR,10R,12aS,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-4a-carboxylic acid
Namen und Synonyme
fatsicarpain DCHEMBL1823027CHEBI:69219DTXSID1012492661318005-64-93alpha-Hydroxyoleana-9(11),12-dien-28-oic acidQ27137558(3alpha)-3-hydroxyoleana-9(11),12-dien-28-oic acid(3I+/-)-3-Hydroxyoleana-9(11),12-dien-28-oic acid
Datenbank-Bezeichner
- CAS
1318005-64-9- PubChem CID
- 53493582
- DTXSID
DTXSID101249266- ChEMBL
CHEMBL1823027- ChEBI
CHEBI:69219- Nikkaji
- J2.973.949H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,2
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 940
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