Identification

PhytoHub ID
PHUB001567
Name
Hopeaphenol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
906.94
Monoisotopic Mass
906.267626792
Chemical Formula
C56H42O12
IUPAC Name
(8S,16S)-8,16-bis(4-hydroxyphenyl)-9-[(8S,16S)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0^{2,7}.0^{14,17}]heptadeca-2(7),3,5,10(17),11,13-hexaen-9-yl]-15-oxatetracyclo[8.6.1.0^{2,7}.0^{14,17}]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
InChI Key
YQQUILZPDYJDQJ-ZFGQVWOOSA-N
InChI Identifier
InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H/t45-,46-,51?,52?,53?,54?,55+,56+/m0/s1
SMILES
OC1=CC=C(C=C1)[C@H]1OC2=CC(O)=CC3=C2C1C1=C([C@@H](C3C2[C@@H](C3=CC=C(O)C=C3)C3=C(C=C(O)C=C3O)C3[C@H](OC4=CC(O)=CC2=C34)C2=CC=C(O)C=C2)C2=CC=C(O)C=C2)C(O)=CC(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.25e-03 g/l
LogS (ALOGPS)
-5.86
LogP (ALOGPS)
6.06
Hydrogen Acceptors
12
Hydrogen Donors
10
Rotatable Bond Count
5
Polar Surface Area
220.75999999999996
Refractivity
253.1100000000002
Polarizability
93.03166297244499
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-5.4537973259753665
pKa (strongest acidic)
8.690628616990859
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Taxonomy

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

Metabolism

No metabolism information available

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