Structure Database (LMSD)
Common Name
Plastochromanol-8
Systematic Name
(R)-2,7,8-trimethyl-2-((3E,7E,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-octamethyltritriaconta-3,7,11,15,19,23,27,31-octaen-1-yl)chroman-6-ol
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
PTMZTTPJFDLIOR-HCCCIJMNSA-N
InChi (Click to copy)
InChI=1S/C53H82O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-37-53(12)38-36-50-39-51(54)48(10)49(11)52(50)55-53/h21,23,25,27,29,31,33,35,39,54H,13-20,22,24,26,28,30,32,34,36-38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+/t53-/m1/s1
SMILES (Click to copy)
C1(O)=CC2CC[C@@](C)(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C[H])OC=2C(C)=C1C
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Natural 6-hydroxy-chromanols and -chromenols: structural diversity, biosynthetic pathways and health implications,
RSC Adv, 2018
RSC Adv, 2018
DOI:
10.1039/C7RA11819H
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
55
Rings
2
Aromatic Rings
1
Rotatable Bonds
24
Van der Waals Molecular Volume
878.38
Topological Polar Surface Area
31.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
17.21
Molar Refractivity
245.05
Admin
Created at
-
Updated at
19th Jul 2021