LIPID MAPS

Structure Database (LMSD)

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Common Name

Kagimminol A

Systematic Name

Synonyms

LM ID

LMPR0104190003

Formula

C₂₀H₃₂O₃

Exact Mass

Calculate m/z

320.235145

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

unclassified Okeania (#2634635)

Cyanophyceae (#3028117)

Kagimminols A and B, Cembrene-Type Diterpenes from an Okeania sp. Marine Cyanobacterium.,
J Nat Prod, 2024

Pubmed ID: 38381613

String Representations

InChiKey (Click to copy)

UWCDFXBLLXOWRX-GUFHTRJOSA-N

InChi (Click to copy)

InChI=1S/C20H32O3/c1-14(2)17-11-9-15(3)7-6-8-16(4)10-12-19(22)20(5,23)13-18(17)21/h8-9,11,14,18,21,23H,6-7,10,12-13H2,1-5H3/b15-9+,16-8+,17-11-/t18-,20-/m0/s1

SMILES (Click to copy)

C1CC=C(C)CCC(=O)[C@@](C)(O)C[C@H](O)C(C(C)C)=CC=C1C

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 1

Aromatic Rings

Rotatable Bonds 1

Van der Waals Molecular Volume 358.01

Topological Polar Surface Area 57.53

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 3

logP 4.68

Molar Refractivity 96.18

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Created at

15th Mar 2024

Updated at