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51415-00-0

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51415-00-0 Structure

51415-00-0 Structure
IdentificationBack Directory
[Name]

Batatasin I
[CAS]

51415-00-0
[Synonyms]

Batatasin I
2,5,7-Trimethoxyphenanthren-3-ol
3-Phenanthrenol, 2,5,7-trimethoxy-
[Molecular Formula]

C17H16O4
[MDL Number]

MFCD30474870
[MOL File]

51415-00-0.mol
[Molecular Weight]

284.31
Chemical PropertiesBack Directory
[Melting point ]

131-132 °C
[Boiling point ]

493.7±40.0 °C(Predicted)
[density ]

1.246±0.06 g/cm3(Predicted)
[form ]

Solid
[pka]

9.33±0.30(Predicted)
[color ]

White to off-white
[InChI]

InChI=1S/C17H16O4/c1-19-12-6-11-5-4-10-7-15(20-2)14(18)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3
[InChIKey]

KGYHMWVRKYFQQR-UHFFFAOYSA-N
[SMILES]

C1=C2C(C3C(C=C2)=CC(OC)=CC=3OC)=CC(O)=C1OC
Hazard InformationBack Directory
[Uses]

Batatasin I is a naturally occurring phenanthrene derivative that is isolated from tuberous roots of Dioscorea batatas. It suppresses eicosanoids generation and degranulation in bone marrow derived-mast cells and has potential antimicrobial activity.
[Definition]

ChEBI: Batatasin I is a phenanthrol.
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