Structure Database (LMSD)
Common Name
20(R)-Protopanaxatriol
Systematic Name
(20R)-Dammar-24-ene-3β,6α,12β,20-tetrol
Synonyms
3D model of 20(R)-Protopanaxatriol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
SHCBCKBYTHZQGZ-DLHMIPLTSA-N
InChi (Click to copy)
InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30+/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4([H])[C@@]([H])([C@](O)(CC/C=C(\C)/C)C)CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2([H])C(C)(C)[C@H]1O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Panax notoginseng
(#44586)
Magnoliopsida
(#3398)
The Cyt P450 enzyme CYP716A47 catalyzes the formation of protopanaxadiol from dammarenediol-II during ginsenoside biosynthesis in Panax ginseng.,
Plant Cell Physiol, 2011
Plant Cell Physiol, 2011
Pubmed ID:
22039120
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
4
Aromatic Rings
Rotatable Bonds
4
Van der Waals Molecular Volume
510.64
Topological Polar Surface Area
80.92
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
logP
6.62
Molar Refractivity
139.12
Admin
Created at
9th Dec 2022
Updated at
9th Dec 2022