Tigilanol Tiglate
[(1R,2S,4R,5S,6S,10S,11R,12R,13R,14S,16R)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-[(E)-2-methylbut-2-enoyl]oxy-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] (2S)-2-methylbutanoate
Molecular Identity
Tigilanol Tiglate
[(1R,2S,4R,5S,6S,10S,11R,12R,13R,14S,16R)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-[(E)-2-methylbut-2-enoyl]oxy-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] (2S)-2-methylbutanoate
PubChem CID: 92135637
Tigilanol tiglate is a diterpenoid natural product isolated from the kernels of the Australian blushwood tree (Fontainea picrosperma). It is approved as a veterinary pharmaceutical for the treatment of non-metastatic and non-resectable canine mast cell tumours. It has a role as an antineoplastic agent, a protein kinase C agonist and a plant metabolite. It is a diterpenoid, a phorbol ester, an organic heteropentacyclic compound and a diester.
2D Structure
Properties
C30H42O10
Molecular Formula
562.60
Molecular Weight
g/mol
562.2778
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
163
TPSA
May have limited oral absorption
4
H-Bond Donors
10
H-Bond Acceptors
1220
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C(=O)OC12C(C1(C)C)C3C4C(O4)(C(C5(C(C3(C(C2OC(=O)C(=CC)C)C)O)C=C(C5=O)C)O)O)COIsomeric SMILES
SMILES: CC[C@H](C)C(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3[C@H]4[C@](O4)([C@H]([C@]5([C@H]([C@]3([C@@H]([C@H]2OC(=O)/C(=C/C)/C)C)O)C=C(C5=O)C)O)O)COSynonyms(20)
Tigilanol tiglate943001-56-7EBC-46EBI-46StelfontaR1ZJT87990tiglate de tigilanoltoglato de tigilanolDTXSID60102953012-Tigloyl-13-(2-methylbutanoyl)-6,7-epoxy-4,5,9,12,13,20-hexahydroxy-1-tiglian-3-one(4S,5S,6R,7S,8R,9R,10S,11R,12R,13S,14R)-12-(2E)-2-Methyl-2-enoatyl-13((2S)-2-methylbutyroyl)-6,7-epoxy-4,5,9,12,13,20-hexahydroxy-1-tigliaen-3-onetigilanoli tiglasRefChem:56863STELFONTA 1 mg/mLtigilanol tiglate injection
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Tigilanol Tiglate
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