Structure Database (LMSD)

Common Name
Polycerasoidin
Systematic Name
9-[(2R)-6-methoxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6-dimethylnona-2E,6E-dienoic acid
Synonyms
LM ID
LMPR02020086
Formula
C23H32O4
Exact Mass
Calculate m/z
372.23006
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Quinones and hydroquinones [PR02]
Vitamin E [PR0202]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Huberantha cerasoides (#235797)
Magnoliopsida (#3398)
Polycerasoidin and Polycerasoidol, Two New Prenylated Benzopyran Derivatives from Polyalthia cerasoides,
J Nat Prod, 1995

String Representations

InChiKey (Click to copy)
AABSZBMLGKTAOK-YGWYNWFMSA-N
InChi (Click to copy)
InChI=1S/C23H32O4/c1-16(8-6-10-17(2)22(24)25)9-7-12-23(4)13-11-19-15-20(26-5)14-18(3)21(19)27-23/h9-10,14-15H,6-8,11-13H2,1-5H3,(H,24,25)/b16-9+,17-10+/t23-/m1/s1
SMILES (Click to copy)
C1(C)=CC(OC)=CC2CC[C@](CC/C=C(\C)/CC/C=C(\C)/C(=O)O)(C)OC1=2

Other Databases

PubChem CID
155547646

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 2
Aromatic Rings 1
Rotatable Bonds 8
Van der Waals Molecular Volume 390.16
Topological Polar Surface Area 57.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 5.91
Molar Refractivity 109.21

Admin

Created at
24th May 2022
Updated at
24th May 2022