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Basic information
- CAS
6711-69-9- Standard SMILES
CCC1C2CCN3CCC4(C(=C2C(=O)OC)Nc2ccccc24)C13- InChIKey
RLAKWLFUMAABBE-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.18377801
Names & identifiers
- Preferred name
- Dihydrocondylocarpine
- IUPAC
- methyl 18-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
- English name
- tubotaiwine
- Molecular formula
- C20H24N2O2
- Molecular weight
- 324.42
Names & synonyms
DIHYDROCONDYLOCARPINETubotaiwinmethyl 18-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate(+)-Dihydrocondylocarpine(+)-19,20-DihydrocondylocarpineACon1_001358GAA71169MFCD26406135NSC306222AKOS032948978NSC-306222Condyfolan-16-carboxylic acid,16-didehydro-, methyl ester
Show more names
NSC 306222tubotaiwine20(S)-tubotaiwineMethyl (14beta)-2,16-didehydrocondyfolan-16-carboxylate2,16-Didehydrocondyfolan-16-carboxylic acid methyl ester3,5-Ethano-3H-pyrrolo[2,3-d]carbazole-6-carboxylic acid, 4-ethyl-1,2,3a,4,5,7-hexahydro-, methyl ester, (3S,3aR,4S,5S,11bS)-
Database identifiers
- CAS
6711-69-9- PubChem CID
- 100004
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 600
Physicochemical properties
- Boiling point
- 467.7 · 467.7±45.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 8.48 · 8.48±0.60(Predicted)
Chemistry & industry
Applications
UsesTubotaiwine ((+)-Tubotaiwine), an alkaloid, has beneficial effect on cadmium (Cd) induced hypertension in rats. Tubotaiwine regulates systolic, diastolic and mean arterial blood pressure of the Cd exposed rats. Tubotaiwine reduces arterial stiffness, inhibits of oxidative stress and increases vascular remodeling[1].
Suppliers21 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
Related reactions
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Compound notes
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