LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Momilactone B

Systematic Name

3α-hydroxy-6β,18;3β,19-diepoxy-9β-pimara-7,15-diene-18-one

Synonyms

LM ID

LMPR0104080013

Formula

C₂₀H₂₆O₄

Exact Mass

Calculate m/z

330.18311

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Oryza sativa (#4530)

Magnoliopsida (#3398)

Momilactones, growth inhibitors from rice, oryza sativa L.,
Tetrahedron Letts, 1973

DOI: 10.1016/S0040-4039(01)87058-1

String Representations

InChiKey (Click to copy)

SONPFFIKLYCKOY-WJMILYJBSA-N

InChi (Click to copy)

InChI=1S/C20H26O4/c1-4-17(2)6-5-13-12(10-17)9-14-15-18(3,16(21)24-14)20(22)8-7-19(13,15)11-23-20/h4,9,13-15,22H,1,5-8,10-11H2,2-3H3/t13-,14-,15+,17-,18+,19+,20-/m1/s1

SMILES (Click to copy)

C1C[C@]2(OC[C@]31[C@@]1([H])[C@@](OC(=O)[C@]12C)([H])C=C1C[C@](C)(C=C)CC[C@@]31[H])O

Other Databases

PubChem CID

76326902

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 6

Aromatic Rings

Rotatable Bonds 1

Van der Waals Molecular Volume 316.20

Topological Polar Surface Area 59.90

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 3.82

Molar Refractivity 89.29

Admin

Created at

25th Aug 2024

Updated at