Prodelphiniline
Basic information
- CAS
20136-67-8- Standard SMILES
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1(c3cc(O)c(O)c(O)c3)Oc3cc(O)cc(O)c3C(O)C1O)C2- InChIKey
MNKQAVLCMUQMSD-UHFFFAOYSA-N- Molecular formula
- C30H26O14
- Average molar mass
- 610.5 g/mol
- Monoisotopic mass
- 610.1322555
Overview
Prodelphiniline has been reported in Pilea cadierei, Ribes maximowiczianum, and other organisms with data available.
Names & identifiers
- Preferred name
- Prodelphiniline
- IUPAC
- 2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-3,4,5,7-tetrol
Names & synonyms
ProdelphinilineNSC14310120136-67-8NSC 1431012-((2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl)oxy)-2-(3,4,5-trihydroxyphenyl)chromane-3,4,5,7-tetrol2-[[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-2-(3,4,5-trihydroxyphenyl)-3,4-dihydrochromene-3,4,5,7-tetrolProdelphinidineNSC-1431012-{[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromane-3,4,5,7-tetrol2-((2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl)oxy)-2-(3,4,5-trihydroxyphenyl)-3,4,5,7-chromanetetrolCHEMBL1996865SCHEMBL13772048
Show more names
SCHEMBL29410606DTXSID10942169NCI60_0009472-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromane-3,4,5,7-tetrol2-{[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 250 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 4
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 977
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