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
3D model of Plastochromanol-8
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
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
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