Structure Database (LMSD)
Common Name
Wikstrocin C
Systematic Name
12-O-hexanoyl-13-O-octanoyl-7-oxo-6,7-dihydrophorbol-5-ene
Synonyms
3D model of Wikstrocin C
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
Level 4 Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Wikstroemia scytophylla
(#2778427)
Magnoliopsida
(#3398)
Anti-HIV Tigliane Diterpenoids from Wikstroemia scytophylla.,
J Nat Prod, 2020
J Nat Prod, 2020
Pubmed ID:
33172265
String Representations
InChiKey (Click to copy)
QZJJFBPXTYFVSV-BTHXHEGYSA-N
InChi (Click to copy)
InChI=1S/C34H50O9/c1-7-9-11-12-14-16-25(37)43-34-28(31(34,5)6)26-27(38)22(19-35)18-32(40)23(17-20(3)29(32)39)33(26,41)21(4)30(34)42-24(36)15-13-10-8-2/h17-18,21,23,26,28,30,35,40-41H,7-16,19H2,1-6H3/t21-,23-,26+,28-,30-,32-,33+,34-/m1/s1
SMILES (Click to copy)
C1(=O)C(CO)=C[C@]2(O)C(C(C)=C[C@@]2([H])[C@@]2(O)[C@@H]([C@@H](OC(CCCCC)=O)[C@@]3(OC(CCCCCCC)=O)C(C)(C)[C@@]3([H])[C@@]21[H])C)=O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
4
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
610.59
Topological Polar Surface Area
147.43
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
9
logP
5.58
Molar Refractivity
161.01
Admin
Created at
12th Nov 2020
Updated at
12th Nov 2020