NP-MRD: Showing NP-Card for (1r,2r,4s,7s,8s,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione (NP0251983)

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Record Information

Version

2.0

Created at

2022-09-07 15:21:25 UTC

Updated at

2022-09-07 15:21:25 UTC

NP-MRD ID

NP0251983

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r,4s,7s,8s,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione

Description

7-Deacetoxy-7-oxogedunin belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. (1r,2r,4s,7s,8s,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione is found in Cedrela odorata, Swietenia macrophylla, Swietenia mahagoni and Trichilia schomburgkii. (1r,2r,4s,7s,8s,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione was first documented in 2013 (PMID: 24034555). Based on a literature review a significant number of articles have been published on 7-deacetoxy-7-oxogedunin (PMID: 34089255) (PMID: 25200371) (PMID: 30305560) (PMID: 33605461) (PMID: 30203950) (PMID: 34290967).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072217212D          

 32 37  0  0  1  0            999 V2000
    5.4731    1.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1154    0.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2251   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309072217212D          

 32 37  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
NP0251983

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)[C@@H]2CC(=O)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=COC=C3)[C@@]2(C)C=CC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H30O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15?,16-,19-,20+,23+,24-,25-,26+/m0/s1

> <INCHI_KEY>
PMISPNORJONCHB-LLWDQIFWSA-N

> <FORMULA>
C26H30O6

> <MOLECULAR_WEIGHT>
438.52

> <EXACT_MASS>
438.204238686

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
45.73791943082947

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2R,4S,7R,8S,12S,17R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0^{2,4}.0^{2,8}.0^{12,17}]nonadec-13-ene-5,15,19-trione

> <JCHEM_LOGP>
4.422386608333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.723603216395855

> <JCHEM_PKA_STRONGEST_BASIC>
-2.869965789888815

> <JCHEM_POLAR_SURFACE_AREA>
86.10999999999999

> <JCHEM_REFRACTIVITY>
115.01919999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,4S,7R,8S,12S,17R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0^{2,4}.0^{2,8}.0^{12,17}]nonadec-13-ene-5,15,19-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      10.216   3.016   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.895   2.225   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.346   3.664   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.903   1.061   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      11.415   1.352   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       9.399  -0.394   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.887  -0.685   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.879   0.479   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.375  -0.976   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.366   0.188   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.862  -1.267   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.350  -1.558   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.342  -0.394   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.838  -1.849   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.830  -0.685   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.326  -2.140   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.206  -3.403   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.277  -4.632   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.178  -4.128   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -1.148  -2.588   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -0.179   0.479   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       0.326   1.934   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -0.683   3.098   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.838   2.225   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       3.350   2.516   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       2.846   1.061   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.358   1.352   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.227   2.886   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.862   2.807   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       3.854   3.971   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       6.375   3.098   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.383   1.934   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4   32                                             
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10   32                                             
CONECT    9    8                                                            
CONECT   10    8   11   27                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15   26                                             
CONECT   14   13                                                            
CONECT   15   13   16   21                                                  
CONECT   16   15   17   20                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   16                                                       
CONECT   21   15   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24   26                                                       
CONECT   26   25   24   13   27                                             
CONECT   27   26   10   28   29                                             
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31    2    8                                                  
MASTER        0    0    0    0    0    0    0    0   32    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₃₀O₆

Average Mass

438.5200 Da

Monoisotopic Mass

438.20424 Da

IUPAC Name

(1R,2R,4S,7R,8S,12S,17R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0^{2,4}.0^{2,8}.0^{12,17}]nonadec-13-ene-5,15,19-trione

Traditional Name

(1R,2R,4S,7R,8S,12S,17R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0^{2,4}.0^{2,8}.0^{12,17}]nonadec-13-ene-5,15,19-trione

CAS Registry Number

Not Available

SMILES

CC1(C)[C@@H]2CC(=O)[C@]3(C)C(CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=COC=C3)[C@@]2(C)C=CC1=O

InChI Identifier

InChI=1S/C26H30O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15?,16-,19-,20+,23+,24-,25-,26+/m0/s1

InChI Key

PMISPNORJONCHB-LLWDQIFWSA-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
Cedrela odorata	LOTUS Database	35616633
Swietenia macrophylla	LOTUS Database	35616633
Swietenia mahagoni	LOTUS Database	35616633
Trichilia schomburgkii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthopyrans

Sub Class

Not Available

Direct Parent

Naphthopyrans

Alternative Parents

Substituents

Naphthopyran
Naphthalene
1,4-dioxepane
Delta valerolactone
Cyclohexenone
Dioxepane
Delta_valerolactone
Pyran
Oxane
Heteroaromatic compound
Furan
Carboxylic acid ester
Ketone
Cyclic ketone
Lactone
Oxacycle
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Organooxygen compound
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	4.42	ChemAxon
pKa (Strongest Acidic)	18.72	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	86.11 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	115.02 m³·mol⁻¹	ChemAxon
Polarizability	45.74 Å³	ChemAxon
Number of Rings	6	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

C00034777

Chemspider ID

58190948

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71300386

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kenfack Tsobnang P, Tsamo Tontsa A, Mbiangue YA, Kemda Nangmo P, Kenfack Tiofack S, Mkounga P, Nkengfack Ephrem A, Tonle Kenfack I: Contributions of secondary alcohol-ketone O-H...O=C and furan-acetate Csp(2)-H...OOC synthons to the supramolecular packings of two bioactive molecules. Acta Crystallogr C Struct Chem. 2021 Jun 1;77(Pt 6):312-320. doi: 10.1107/S2053229621005209. Epub 2021 May 27. [PubMed:34089255 ]
Sakamoto A, Tanaka Y, Yamada T, Kikuchi T, Muraoka O, Ninomiya K, Morikawa T, Tanaka R: Andirolides W-Y from the flower oil of andiroba (Carapa guianensis, Meliaceae). Fitoterapia. 2015 Jan;100:81-7. doi: 10.1016/j.fitote.2014.09.003. Epub 2014 Sep 6. [PubMed:25200371 ]
Morikawa T, Nagatomo A, Kitazawa K, Muraoka O, Kikuchi T, Yamada T, Tanaka R, Ninomiya K: Collagen Synthesis-Promoting Effects of Andiroba Oil and its Limonoid Constituents in Normal Human Dermal Fibroblasts. J Oleo Sci. 2018;67(10):1271-1277. doi: 10.5650/jos.ess18143. [PubMed:30305560 ]
Duan JY, Wang YJ, Chen W, Zhao YQ, Bai ZH, He LL, Zhang CP: Limonoids isolated from fruits of Swietenia macrophylla king enhance glucose consumption in insulin-resistant HepG2 cells via activating PPARgamma. J Food Biochem. 2021 Apr;45(4):e13668. doi: 10.1111/jfbc.13668. Epub 2021 Feb 19. [PubMed:33605461 ]
Liu JS, Zhu LL, Wang GK, Wang G: [Studies on Chemical Constituents from the Fruit of Swietenia macrophylla]. Zhong Yao Cai. 2016 Jul;39(7):1530-5. [PubMed:30203950 ]
Abdelgaleil SA, Doe M, Nakatani M: Rings B,D-seco limonoid antifeedants from Swietenia mahogani. Phytochemistry. 2013 Dec;96:312-7. doi: 10.1016/j.phytochem.2013.08.006. Epub 2013 Sep 10. [PubMed:24034555 ]
Kouam AF, Njayou FN, Yuan F, Oladejo BO, Hongtao H, Mkounga P, Moundipa PF: Inhibitory activity of limonoids from Khaya grandifoliola C.DC (Meliaceae) against hepatitis C virus infection in vitro. Avicenna J Phytomed. 2021 Jul-Aug;11(4):353-366. doi: 10.22038/AJP.2020.17215. [PubMed:34290967 ]
Matsumoto C, Maehara T, Tanaka R, Fujimori K: Limonoid 7-Deacetoxy-7-oxogedunin from Andiroba, Carapa guianensis, Meliaceae, Decreased Body Weight Gain, Improved Insulin Sensitivity, and Activated Brown Adipose Tissue in High-Fat-Diet-Fed Mice. J Agric Food Chem. 2019 Sep 11;67(36):10107-10115. doi: 10.1021/acs.jafc.9b04362. Epub 2019 Sep 3. [PubMed:31434473 ]
Matsumoto C, Koike A, Tanaka R, Fujimori K: A Limonoid, 7-Deacetoxy-7-Oxogedunin (CG-1) from Andiroba (Carapa guianensis, Meliaceae) Lowers the Accumulation of Intracellular Lipids in Adipocytes via Suppression of IRS-1/Akt-Mediated Glucose Uptake and a Decrease in GLUT4 Expression. Molecules. 2019 Apr 28;24(9):1668. doi: 10.3390/molecules24091668. [PubMed:31035366 ]
Kouam AF, Yuan F, Njayou FN, He H, Tsayem RF, Oladejo BO, Song F, Moundipa PF, Gao GF: Induction of Mkp-1 and Nuclear Translocation of Nrf2 by Limonoids from Khaya grandifoliola C.DC Protect L-02 Hepatocytes against Acetaminophen-Induced Hepatotoxicity. Front Pharmacol. 2017 Sep 19;8:653. doi: 10.3389/fphar.2017.00653. eCollection 2017. [PubMed:28974930 ]
Elufioye TO, Abdul AA, Moody JO: Cytotoxicity Studies of the Extracts, Fractions, and Isolated Compound of Pseudocedrela kotschyi on Cervical Cancer (HeLa), Breast Cancer (MCF-7) and Skeletal Muscle Cancer (RD) Cells. Pharmacognosy Res. 2017 Jan-Mar;9(1):46-50. doi: 10.4103/0974-8490.199776. [PubMed:28250653 ]
Dioum MD, Seck M, Silvestre V, Planchat A, Loquet D, Lohard S, Barille-Nion S, Remaud GS, Robins RJ, Tea I: A Ring-D-Seco-Tetranortriterpenoid from Seeds of Carapa procera Active against Breast Cancer Cell Lines. Planta Med. 2016 Jul;82(11-12):967-72. doi: 10.1055/s-0042-107797. Epub 2016 May 25. [PubMed:27224268 ]
Ninomiya K, Miyazawa S, Ozeki K, Matsuo N, Muraoka O, Kikuchi T, Yamada T, Tanaka R, Morikawa T: Hepatoprotective Limonoids from Andiroba (Carapa guianensis). Int J Mol Sci. 2016 Apr 19;17(4):591. doi: 10.3390/ijms17040591. [PubMed:27104518 ]
Pereira TB, Rocha E Silva LF, Amorim RC, Melo MR, Zacardi de Souza RC, Eberlin MN, Lima ES, Vasconcellos MC, Pohlit AM: In vitro and in vivo anti-malarial activity of limonoids isolated from the residual seed biomass from Carapa guianensis (andiroba) oil production. Malar J. 2014 Aug 13;13:317. doi: 10.1186/1475-2875-13-317. [PubMed:25124944 ]
Henriques Md, Penido C: The therapeutic properties of Carapa guianensis. Curr Pharm Des. 2014;20(6):850-6. doi: 10.2174/13816128113199990048. [PubMed:23701562 ]
LOTUS database [Link]

Showing NP-Card for (1r,2r,4s,7s,8s,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione (NP0251983)

MOL for NP0251983 ((1r,2r,4s,7s,8s,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

3D MOL for NP0251983 ((1r,2r,4s,7s,8s,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

3D SDF for NP0251983 ((1r,2r,4s,7s,8s,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

3D-SDF for NP0251983 ((1r,2r,4s,7s,8s,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

PDB for NP0251983 ((1r,2r,4s,7s,8s,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

3D PDB for NP0251983 ((1r,2r,4s,7s,8s,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

SMILES for NP0251983 ((1r,2r,4s,7s,8s,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

INCHI for NP0251983 ((1r,2r,4s,7s,8s,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

Structure for NP0251983 ((1r,2r,4s,7s,8s,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)

3D Structure for NP0251983 ((1r,2r,4s,7s,8s,12s,17r)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.0²,⁴.0²,⁸.0¹²,¹⁷]nonadec-13-ene-5,15,19-trione)