NP-MRD: Showing NP-Card for (4e,12s,13s)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0⁷,¹¹]hexadeca-4,7(11),9-trien-15-one (NP0148563)

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Record Information

Version

2.0

Created at

2022-09-02 04:19:41 UTC

Updated at

2022-09-02 04:19:41 UTC

NP-MRD ID

NP0148563

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4e,12s,13s)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0⁷,¹¹]hexadeca-4,7(11),9-trien-15-one

Description

Linderane, also known as LDR CPD, belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4. (4e,12s,13s)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0⁷,¹¹]hexadeca-4,7(11),9-trien-15-one is found in Cryptocarya densiflora, Lindera aggregata, Neolitsea buisanensis, Neolitsea hiiranensis and Neolitsea villosa. (4e,12s,13s)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0⁷,¹¹]hexadeca-4,7(11),9-trien-15-one was first documented in 2009 (PMID: 20209914). Based on a literature review a significant number of articles have been published on Linderane (PMID: 35309717) (PMID: 34800885) (PMID: 34343060) (PMID: 31394125) (PMID: 30036998) (PMID: 29867482).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 35 38  0  0  0  0  0  0  0  0999 V2000
    3.6006    1.0972    0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1892    0.5355    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0411   -0.7061    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1363   -1.2224   -1.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3571   -2.4352   -0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547   -2.2103    0.6433 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7497   -2.6916    0.7650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6939   -1.4393    0.2445 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5330   -0.1896    1.0733 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6256   -0.4611    2.0783 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0698   -1.6218    1.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791   -2.1137    2.5788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1988    0.9204    0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0395    1.4442   -0.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4181    0.9707   -1.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3341    2.4541   -1.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1745    2.5325   -0.8725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0355    1.6306    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1528    1.4395    0.9645 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3051    0.2963    0.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    1.8921    1.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8148    1.5775   -0.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6364   -1.5346    0.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5524   -0.4772   -1.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8442   -1.6568   -1.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3148   -2.7360   -1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0406   -3.2833   -0.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8951   -1.2899   -0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5116    0.0844    1.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8289    0.4432   -0.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1043    1.8156   -1.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3541    0.2470   -1.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7342    3.0557   -2.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6661    2.4527    1.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8855    1.1796    2.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
 15 14  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 18 13  2  0
 13  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  2 19  1  0
  6  7  1  1
  7  8  1  0
 13 14  1  0
  8  9  1  0
 19 18  1  0
  8  6  1  0
 15 30  1  0
 15 31  1  0
 15 32  1  0
 16 33  1  0
  9 29  1  1
  5 26  1  0
  5 27  1  0
  4 24  1  0
  4 25  1  0
  3 23  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
 19 34  1  0
 19 35  1  0
  8 28  1  6
M  END


  Mrv1652309022206192D          

 19 22  0  0  1  0            999 V2000
    2.0665    0.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8428    0.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3154   -0.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5022   -0.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2165    0.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7439    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2714    1.7070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5571    0.9330    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0845    1.5674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4853    2.1826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7114    1.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0253    2.3551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8976    1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454    1.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5128    2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2314    1.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0076    0.6865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1833    0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6559    0.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 18 19  1  0  0  0  0
  2 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0148563

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=COC2=C1[C@@H]1OC(=O)C3(CC\C=C(C)\C2)O[C@@H]13

> <INCHI_IDENTIFIER>
InChI=1S/C15H16O4/c1-8-4-3-5-15-13(19-15)12(18-14(15)16)11-9(2)7-17-10(11)6-8/h4,7,12-13H,3,5-6H2,1-2H3/b8-4+/t12-,13-,15?/m0/s1

> <INCHI_KEY>
KBMSVODXFLAQNJ-IUKAEILTSA-N

> <FORMULA>
C15H16O4

> <MOLECULAR_WEIGHT>
260.289

> <EXACT_MASS>
260.104858995

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
26.47480140080401

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(4E,12S,13S)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0^{1,13}.0^{7,11}]hexadeca-4,7(11),9-trien-15-one

> <ALOGPS_LOGP>
2.35

> <JCHEM_LOGP>
2.654661743666666

> <ALOGPS_LOGS>
-3.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8038653009788748

> <JCHEM_POLAR_SURFACE_AREA>
51.97

> <JCHEM_REFRACTIVITY>
68.2895

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.93e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4E,12S,13S)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0^{1,13}.0^{7,11}]hexadeca-4,7(11),9-trien-15-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       3.858   1.779   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.440   0.297   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.455  -0.887   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.938  -0.627   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.404   0.818   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.389   2.002   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.373   3.186   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.907   1.742   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.891   2.926   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.773   4.074   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.328   3.541   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.047   4.396   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       5.409   2.665   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.618   3.619   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.557   5.158   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.899   2.764   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       7.481   1.281   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.942   1.221   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.958   0.036   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   19                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8   11                                             
CONECT    7    6    8                                                       
CONECT    8    7    6    9                                                  
CONECT    9    8   10   13                                                  
CONECT   10    9   11                                                       
CONECT   11   10    6   12                                                  
CONECT   12   11                                                            
CONECT   13    9   14   18                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   13   19                                                  
CONECT   19   18    2                                                       
MASTER        0    0    0    0    0    0    0    0   19    0   44    0
END

View in JSmol

Synonyms

Value	Source
LDR CPD	MeSH

Chemical Formula

C₁₅H₁₆O₄

Average Mass

260.2890 Da

Monoisotopic Mass

260.10486 Da

IUPAC Name

(4E,12S,13S)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0^{1,13}.0^{7,11}]hexadeca-4,7(11),9-trien-15-one

Traditional Name

(4E,12S,13S)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0^{1,13}.0^{7,11}]hexadeca-4,7(11),9-trien-15-one

CAS Registry Number

Not Available

SMILES

CC1=COC2=C1[C@@H]1OC(=O)C3(CC\C=C(C)\C2)O[C@@H]13

InChI Identifier

InChI=1S/C15H16O4/c1-8-4-3-5-15-13(19-15)12(18-14(15)16)11-9(2)7-17-10(11)6-8/h4,7,12-13H,3,5-6H2,1-2H3/b8-4+/t12-,13-,15?/m0/s1

InChI Key

KBMSVODXFLAQNJ-IUKAEILTSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Cryptocarya densiflora	LOTUS Database	35616633
Lindera aggregata	LOTUS Database	35616633
Neolitsea buisanensis	LOTUS Database	35616633
Neolitsea hiiranensis	LOTUS Database	35616633
Neolitsea villosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Dioxanes

Sub Class

1,4-dioxanes

Direct Parent

1,4-dioxanes

Alternative Parents

Substituents

Para-dioxane
Gamma butyrolactone
Furan
Oxolane
Heteroaromatic compound
Lactone
Carboxylic acid ester
Monocarboxylic acid or derivatives
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Oxacycle
Organooxygen compound
Organic oxide
Organic oxygen compound
Carbonyl group
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.35	ALOGPS
logP	2.65	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	51.97 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	68.29 m³·mol⁻¹	ChemAxon
Polarizability	26.47 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00003317

Chemspider ID

88297925

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6450227

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zhang T, Peng T, Rao J, Wang K, Qiu F: Quantitation of Diclofenac, Tolbutamide, and Warfarin as Typical CYP2C9 Substrates in Rat Plasma by UPLC-MS/MS and Its Application to Evaluate Linderane-Mediated Herb-Drug Interactions. J Anal Methods Chem. 2022 Mar 10;2022:1900037. doi: 10.1155/2022/1900037. eCollection 2022. [PubMed:35309717 ]
Wang K, Zhang T, Rao J, Peng T, Gao Q, Feng X, Qiu F: Drug-drug interactions induced by Linderane based on mechanism-based inactivation of CYP2C9 and the molecular mechanisms. Bioorg Chem. 2022 Jan;118:105478. doi: 10.1016/j.bioorg.2021.105478. Epub 2021 Nov 15. [PubMed:34800885 ]
Jani NA, Sirat HM, Ahmad F, Aminudin NI: New sesquiterpene dilactone and beta-carboline alkaloid and the alpha-glucosidase inhibitory activity of selected phytochemicals from Neolitsea cassia (L.) Kosterm. Nat Prod Res. 2021 Aug 3:1-9. doi: 10.1080/14786419.2021.1961134. [PubMed:34343060 ]
Zhang H, Zhu C, Sun Z, Yan X, Wang H, Xu H, Ma J, Zhang Y: Linderane protects pancreatic beta cells from streptozotocin (STZ)-induced oxidative damage. Life Sci. 2019 Sep 15;233:116732. doi: 10.1016/j.lfs.2019.116732. Epub 2019 Aug 5. [PubMed:31394125 ]
He Y, Cheng P, Wang W, Yan S, Tang Q, Liu D, Xie H: Rapid Investigation and Screening of Bioactive Components in Simo Decoction via LC-Q-TOF-MS and UF-HPLC-MD Methods. Molecules. 2018 Jul 20;23(7). pii: molecules23071792. doi: 10.3390/molecules23071792. [PubMed:30036998 ]
Xie W, Ye Y, Feng Y, Xu T, Huang S, Shen J, Leng Y: Linderane Suppresses Hepatic Gluconeogenesis by Inhibiting the cAMP/PKA/CREB Pathway Through Indirect Activation of PDE 3 via ERK/STAT3. Front Pharmacol. 2018 May 15;9:476. doi: 10.3389/fphar.2018.00476. eCollection 2018. [PubMed:29867482 ]
Yaermaimaiti S, Wang P, Luo J, Li RJ, Kong LY: Sesquiterpenoids from the seeds of Sarcandra glabra and the potential anti-inflammatory effects. Fitoterapia. 2016 Jun;111:7-11. doi: 10.1016/j.fitote.2016.03.020. Epub 2016 Apr 2. [PubMed:27050720 ]
Wang H, Wang K, Mao X, Zhang Q, Yao T, Peng Y, Zheng J: Mechanism-based inactivation of CYP2C9 by linderane. Xenobiotica. 2015;45(12):1037-46. doi: 10.3109/00498254.2015.1041002. Epub 2015 Jun 11. [PubMed:26068520 ]
Zheng Y, Luan L, Gan L, Zhou C, Wu Y: [Simultaneous determination of three sesquiterpene lactones in Radix Linderae by HPLC]. Zhongguo Zhong Yao Za Zhi. 2009 Nov;34(21):2777-80. [PubMed:20209914 ]
LOTUS database [Link]

Showing NP-Card for (4e,12s,13s)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0⁷,¹¹]hexadeca-4,7(11),9-trien-15-one (NP0148563)

MOL for NP0148563 ((4e,12s,13s)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0⁷,¹¹]hexadeca-4,7(11),9-trien-15-one)

3D MOL for NP0148563 ((4e,12s,13s)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0⁷,¹¹]hexadeca-4,7(11),9-trien-15-one)

3D SDF for NP0148563 ((4e,12s,13s)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0⁷,¹¹]hexadeca-4,7(11),9-trien-15-one)

3D-SDF for NP0148563 ((4e,12s,13s)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0⁷,¹¹]hexadeca-4,7(11),9-trien-15-one)

PDB for NP0148563 ((4e,12s,13s)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0⁷,¹¹]hexadeca-4,7(11),9-trien-15-one)

3D PDB for NP0148563 ((4e,12s,13s)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0⁷,¹¹]hexadeca-4,7(11),9-trien-15-one)

SMILES for NP0148563 ((4e,12s,13s)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0⁷,¹¹]hexadeca-4,7(11),9-trien-15-one)

INCHI for NP0148563 ((4e,12s,13s)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0⁷,¹¹]hexadeca-4,7(11),9-trien-15-one)

Structure for NP0148563 ((4e,12s,13s)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0⁷,¹¹]hexadeca-4,7(11),9-trien-15-one)

3D Structure for NP0148563 ((4e,12s,13s)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0¹,¹³.0⁷,¹¹]hexadeca-4,7(11),9-trien-15-one)