Basic information
- CAS
80510-06-1- Standard SMILES
COc1cc(C2Oc3c(OC)cc(/C=C/C(=O)NCCc4ccc(O)cc4)cc3C2C(=O)NCCc2ccc(O)cc2)ccc1O- InChIKey
DROXVBRNXCRUHP-VGOFMYFVSA-N- Molecular formula
- C36H36N2O8
- Average molar mass
- 624.7 g/mol
- Monoisotopic mass
- 624.24716611
Overview
Tataramide B has been reported in Capsicum annuum, Hyoscyamus niger, and other organisms with data available.
Names & identifiers
- Preferred name
- 2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
- IUPAC
- 2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
- English name
- GrossaMide
- Molecular formula
- C36H36N2O8
- Molecular weight
- 624.68
Names & synonyms
2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamideTataramide BTribulusamide AGrossamide or its isomer (Not validated)()-GrossamideSCHEMBL30637461187655-56-7rel-(2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(1E)-3-[[2-(4-hydroxyphenyl)ethyl]amino]-3-oxo-1-propen-1-yl]-7-methoxy-3-benzofurancarboxamideMFCD21333753NSC3598372-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(1E)-2-{[2-(4-hydroxyphenyl)ethyl]carbamoyl}eth-1-en-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide2-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxo-prop-1-enyl]-7-methoxy-2,3-dihydrobenzofuran-3-carboxamide
Show more names
NSC 359837GrossaMide(2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 994
Experimental & physicochemical properties
Melting Point174 - 175 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 934.8 · 934.8±65.0 °C(Predicted)
- Density
- 1.315 · 1.315±0.06 g/cm3(Predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 9.78 · 9.78±0.35(Predicted)
- FDA UNII
- 63 RFK5Z1GK · 63RFK5Z1GK
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesGrossamide is an anti-inflammatory agent found in hemp seed. Grossamide is a potential therapeutic candidate for inhibiting neuroinflammation in neurodegenerative diseases.
Suppliers35 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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