Oridonin
(1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
Molecular Identity
Oridonin
(1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
PubChem CID: 5321010
Oridonin is an organic heteropentacyclic compound and ent-kaurane diterpenoid with formula C20H28O6 isolated from the leaves of the medicinal herb Rabdosia rubescens. It has a role as an antibacterial agent, an antineoplastic agent, an angiogenesis inhibitor, an anti-asthmatic agent, an apoptosis inducer and a plant metabolite. It is a secondary alcohol, an ent-kaurane diterpenoid, an organic heteropentacyclic compound, an enone and a cyclic hemiketal.
2D Structure
Properties
C20H28O6
Molecular Formula
364.40
Molecular Weight
g/mol
364.1886
Exact Mass
Da
0.1
XLogP
Drug-like (Lipinski: < 5)
107
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
717
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Oridonin28957-04-2OridonineISODONOLlasidoninPURE ORIDONIN0APJ98UCLQDTXSID201021760NSC-250682CHEBI:138236Kaur-16-en-15-one, 7,20-epoxy-1,6,7,14-tetrahydroxy-, (1alpha,6beta,7alpha,14R)-(1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one(1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo(7.6.2.15,8.01,11.02,8)octadecan-7-oneRefChem:168506DTXCID801506730
Data from PubChem (NCBI)
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