Basic information
- CAS
2115-91-5- Standard SMILES
CC(C)C1[C@H]2OC(=O)[C@@H]1C1CCC3CN(C)C2C31C- InChIKey
RYAHJFGVOCZDEI-QFFGRMPASA-N- Molecular formula
- C16H25NO2
- Average molar mass
- 263.37 g/mol
- Monoisotopic mass
- 263.18852904
Overview
See also: Dendrobine (annotation moved to).
Names & identifiers
- Preferred name
- From Dendrobium nobile
- IUPAC
- (8R,11R)-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one
- English name
- dendrobine
- Molecular formula
- C16H25NO2
- Molecular weight
- 263.38
Names & synonyms
From Dendrobium nobile7, dendroban-12-one derivativeNSC607862dendrobineDendrobine 1%(-)-DendrobineDendrobine 20%12-OxodendrobaneDendroban-12-oneDendrobine 2115-91-5Dendrobine (Standard)Dendrobine, 10 mM in DMSO
Database identifiers
- CAS
2115-91-5- PubChem CID
- 355017
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Melting point
- 135 · 135-136℃
- Boiling point
- 375 ℃ · 375℃
- Density
- 1.101 · 1.101
- Flash point
- 133 ℃ · 133℃
- storage temp.
- 4 °C, · 4°C, protect from light
- solubility
- 60 mg/ml · ≥60mg/ml in MeOH
- form
- Powder
- pka
- 9.49 · 9.49±0.60(Predicted)
- color
- White to yellow
- InChI
- InChI=1S/C16H25NO2/c1-8(2)11-12-10-6-5-9-7-17(4)14(16(9,10)3)13(11)19-15(12)18/h8-14H,5-7H2,1-4H3/t9-,10+,11+,12-,13-,14-,16+/m1/s1
- InChIKey
- RYAHJFGVOCZDEI-UFFNCVEVSA-N
- SMILES
- N1(C)[C@@]2([H])[C@]3(C)[C@@]([H])(CC[C@]3([H])C1)[C@@]1([H])C(=O)O[C@]2([H])[C@H]1C(C)C
- FDA UNII
- 9 N9FB9DPG · A9N9FB9DPG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- HS Code
- 29399990 · 29399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Applications
DescriptionDendrobine is a sesquiterpenoid that has been found in D. nobile and has anticancer activity. It decreases viability of A549 cells when used at concentrations ranging from 2.5 to 15 μg/ml. It induces apoptosis in A549 cells when used at concentrations ranging from 1 to 10 μg/ml, as well as increases JNK phosphorylation and sensitizes A549 cells to cisplatin at 10 μg/ml. Dendrobine (50 mg/kg per day) reduces tumor growth in an A549 mouse xenograft model with an additive effect when used in combination with cisplatin.
UsesDendrobine is an alkaloid isolated from Dendrobium nobile and is an antagonist of β-alanine, taurine and of presynaptic inhibition in the frog spinal cord.
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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