(6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid

C23H30O5 — CID 20588555

IUPAC(6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid
SMILESO=C(O)CCCC(O)/C=C/C=C/C=C/C=C/C(O)C(O)CCc1ccccc1
InChIInChI=1S/C23H30O5/c24-20(14-10-16-23(27)28)13-8-3-1-2-4-9-15-21(25)22(26)18-17-19-11-6-5-7-12-19/h1-9,11-13,15,20-22,24-26H,10,14,16-18H2,(H,27,28)/b3-1+,4-2+,13-8+,15-9+
InChIKeyJJIOEZJMDNVADT-NDVZPQIYSA-N
MW386.49 g/mol
LogP3.18
Rot. Bonds13

About (6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid

(6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid (PubChem CID 20588555) has the molecular formula C23H30O5 and a molecular weight of 386.49 g/mol. Its IUPAC name is (6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid.

Molecular Properties

Compound Name(6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid
PubChem CID20588555
Molecular FormulaC23H30O5
Molecular Weight386.49 g/mol
Exact Mass386.21
IUPAC Name(6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid
SMILESO=C(O)CCCC(O)/C=C/C=C/C=C/C=C/C(O)C(O)CCc1ccccc1
InChIInChI=1S/C23H30O5/c24-20(14-10-16-23(27)28)13-8-3-1-2-4-9-15-21(25)22(26)18-17-19-11-6-5-7-12-19/h1-9,11-13,15,20-22,24-26H,10,14,16-18H2,(H,27,28)/b3-1+,4-2+,13-8+,15-9+
InChIKeyJJIOEZJMDNVADT-NDVZPQIYSA-N
XLogP3.18
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid with MolForge

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Related Compounds

acetylene;(5S,6R,7E,9E,11Z)-5,6-dihydroxy-17-phenylheptadeca-7,9,11-trien-14-ynoic acid;ethane
CID 157337788
(5R,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid
CID 51668907
5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid
CID 162821776
(11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid
CID 87507613
(6Z,8E,10E)-5,12-dihydroxy-13-phenoxytrideca-6,8,10-trienoic acid
CID 88681398
(5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxy-16-methylheptadeca-7,9,11,13-tetraenoic acid
CID 89190263
(5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid
CID 13105333
(3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol
CID 5324474
(4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol
CID 50993196
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
15-phenylpentadecanoic acid
CID 2737151

Frequently Asked Questions

What is the IUPAC name of (6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid?
The IUPAC name of (6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid (CID 20588555) is (6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid.
What is the SMILES notation for (6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid?
The canonical SMILES for (6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid is O=C(O)CCCC(O)/C=C/C=C/C=C/C=C/C(O)C(O)CCc1ccccc1.
What is the InChIKey of (6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid?
The InChIKey is JJIOEZJMDNVADT-NDVZPQIYSA-N. The full InChI is InChI=1S/C23H30O5/c24-20(14-10-16-23(27)28)13-8-3-1-2-4-9-15-21(25)22(26)18-17-19-11-6-5-7-12-19/h1-9,11-13,15,20-22,24-26H,10,14,16-18H2,(H,27,28)/b3-1+,4-2+,13-8+,15-9+.
What are the key properties of (6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid?
(6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid has a molecular weight of 386.49 g/mol, XLogP of 3.18, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid is sourced from PubChem (CID 20588555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).