NP-MRD: Showing NP-Card for (1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione (NP0154571)

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Record Information

Version

2.0

Created at

2022-09-02 11:30:18 UTC

Updated at

2022-09-02 11:30:18 UTC

NP-MRD ID

NP0154571

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione

Description

Cedrelone belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17. (1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione is found in Toona ciliata. (1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione was first documented in 2017 (PMID: 28129886). Based on a literature review a significant number of articles have been published on Cedrelone (PMID: 33164370) (PMID: 35628141) (PMID: 35686814) (PMID: 31551955) (PMID: 34107900) (PMID: 31857088).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022213302D          

 31 36  0  0  1  0            999 V2000
    5.2038    1.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9298   -0.3634    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


  Mrv1652309022213302D          

 31 36  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
NP0154571

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)C4=C(O)C(=O)[C@@]3(C)[C@]11O[C@@H]1C[C@H]2C1=COC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C26H30O5/c1-22(2)17(27)7-9-23(3)16-6-10-24(4)15(14-8-11-30-13-14)12-18-26(24,31-18)25(16,5)21(29)19(28)20(22)23/h7-9,11,13,15-16,18,28H,6,10,12H2,1-5H3/t15-,16+,18+,23+,24-,25-,26+/m0/s1

> <INCHI_KEY>
OQMUOVSEPOBWMK-BWLMZZBKSA-N

> <FORMULA>
C26H30O5

> <MOLECULAR_WEIGHT>
422.521

> <EXACT_MASS>
422.209324066

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
45.40230595860178

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2R,4R,6R,7S,10R,11R)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0^{2,4}.0^{2,7}.0^{11,16}]octadeca-12,16-diene-14,18-dione

> <ALOGPS_LOGP>
4.39

> <JCHEM_LOGP>
4.451640761666667

> <ALOGPS_LOGS>
-4.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.433175659991663

> <JCHEM_PKA_STRONGEST_BASIC>
-2.786111960642718

> <JCHEM_POLAR_SURFACE_AREA>
80.03999999999999

> <JCHEM_REFRACTIVITY>
116.60129999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.31e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,4R,6R,7S,10R,11R)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0^{2,4}.0^{2,7}.0^{11,16}]octadeca-12,16-diene-14,18-dione

> <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       9.714   2.992   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.382   2.218   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.852   3.664   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.375   1.041   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      10.891   1.312   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       8.852  -0.407   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.336  -0.678   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.343   0.499   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.820  -0.949   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.866   1.947   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.873   3.125   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       6.397   4.573   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.357   2.854   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.365   4.031   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.834   1.405   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.254   2.832   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.827   0.228   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.304  -1.221   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.788  -1.492   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.795  -0.314   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.123  -1.700   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.256  -0.264   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.689  -1.480   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.261  -2.959   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.536  -3.824   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -2.752  -2.878   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -2.229  -1.430   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.172   1.215   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.102   2.079   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       2.529   2.660   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.318   1.134   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4   10                                             
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10   17                                             
CONECT    9    8                                                            
CONECT   10    8    2   11                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17   31                                             
CONECT   16   15                                                            
CONECT   17   15    8   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22   31                                             
CONECT   21   20                                                            
CONECT   22   20   23   28                                                  
CONECT   23   22   24   27                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   23                                                       
CONECT   28   22   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29   31                                                       
CONECT   31   30   29   20   15                                             
MASTER        0    0    0    0    0    0    0    0   31    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₃₀O₅

Average Mass

422.5210 Da

Monoisotopic Mass

422.20932 Da

IUPAC Name

(1R,2R,4R,6R,7S,10R,11R)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0^{2,4}.0^{2,7}.0^{11,16}]octadeca-12,16-diene-14,18-dione

Traditional Name

(1R,2R,4R,6R,7S,10R,11R)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0^{2,4}.0^{2,7}.0^{11,16}]octadeca-12,16-diene-14,18-dione

CAS Registry Number

Not Available

SMILES

C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)C4=C(O)C(=O)[C@@]3(C)[C@]11O[C@@H]1C[C@H]2C1=COC=C1

InChI Identifier

InChI=1S/C26H30O5/c1-22(2)17(27)7-9-23(3)16-6-10-24(4)15(14-8-11-30-13-14)12-18-26(24,31-18)25(16,5)21(29)19(28)20(22)23/h7-9,11,13,15-16,18,28H,6,10,12H2,1-5H3/t15-,16+,18+,23+,24-,25-,26+/m0/s1

InChI Key

OQMUOVSEPOBWMK-BWLMZZBKSA-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
Toona ciliata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Limonoids

Alternative Parents

Substituents

Limonoid skeleton
17-furanylsteroid skeleton
3-oxo-delta-1-steroid
7-oxosteroid
Oxosteroid
Delta-1-steroid
Steroid
Naphthopyran
Naphthalene
Cyclohexenone
Pyran
Oxane
Heteroaromatic compound
Furan
Ketone
Cyclic ketone
Dialkyl ether
Enol
Oxirane
Ether
Oxacycle
Organoheterocyclic compound
Organic oxide
Carbonyl group
Hydrocarbon derivative
Organic oxygen compound
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	4.39	ALOGPS
logP	4.45	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	8.43	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	80.04 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	116.6 m³·mol⁻¹	ChemAxon
Polarizability	45.4 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

C00040762

Chemspider ID

10222113

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21596358

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zhang Y, An FL, Huang SS, Yang L, Gu YC, Luo J, Kong LY: Diverse tritepenoids from the fruits of Walsura robusta and their reversal of multidrug resistance phenotype in human breast cancer cells. Phytochemistry. 2017 Apr;136:108-118. doi: 10.1016/j.phytochem.2017.01.008. Epub 2017 Jan 24. [PubMed:28129886 ]
Jiang HU, Jia-Xun LI, Qiang LI, Tian-Feng P, Xiao-Dong S, Tao L, Jian C, Nian-Hua J, Wei-Xing Y, Wei W: [Terpenoids from Toona sinensis]. Zhongguo Zhong Yao Za Zhi. 2020 Sep;45(18):4411-4415. doi: 10.19540/j.cnki.cjcmm.20200608.202. [PubMed:33164370 ]
Lin M, Bi X, Zhou L, Huang J: Insecticidal Triterpenes in Meliaceae: Plant Species, Molecules, and Activities: Part II (Cipadessa, Melia). Int J Mol Sci. 2022 May 10;23(10):5329. doi: 10.3390/ijms23105329. [PubMed:35628141 ]
Vergoten G, Bailly C: Molecular docking study of GSK-3beta interaction with nomilin, kihadanin B, and related limonoids and triterpenes with a furyl-delta-lactone core. J Biochem Mol Toxicol. 2022 Sep;36(9):e23130. doi: 10.1002/jbt.23130. Epub 2022 Jun 10. [PubMed:35686814 ]
Jin Z, Ma J, Zhu G, Zhang H: Discovery of Novel Anti-cryptosporidial Activities From Natural Products by in vitro High-Throughput Phenotypic Screening. Front Microbiol. 2019 Aug 29;10:1999. doi: 10.3389/fmicb.2019.01999. eCollection 2019. [PubMed:31551955 ]
Yu F, Gajendran B, Wang N, Sample KM, Liu W, Wang C, Hu A, Zacksenhaus E, Hao X, Ben-David Y: ERK activation via A1542/3 limonoids attenuates erythroleukemia through transcriptional stimulation of cholesterol biosynthesis genes. BMC Cancer. 2021 Jun 9;21(1):680. doi: 10.1186/s12885-021-08402-6. [PubMed:34107900 ]
Becceneri AB, Fuzer AM, Popolin CP, Cazal CM, Domingues VC, Fernandes JB, Vieira PC, Cominetti MR: Acetylation of cedrelone increases its cytotoxic activity and reverts the malignant phenotype of breast cancer cells in 3D culture. Chem Biol Interact. 2020 Jan 25;316:108920. doi: 10.1016/j.cbi.2019.108920. Epub 2019 Dec 16. [PubMed:31857088 ]
Wu J, Niu Q, Yuan J, Xu X, Cao L: Novel compound cedrelone inhibits hepatocellular carcinoma progression via PBLD and Ras/Rap1. Exp Ther Med. 2019 Dec;18(6):4209-4220. doi: 10.3892/etm.2019.8080. Epub 2019 Oct 7. [PubMed:31777531 ]
Cao Y, Zhang L, Wang Y: Antitumor activity of Cedrelone in temozolomide-resistant human glioma cells is accompanied by mitochondrial mediated apoptosis, inhibition of angiogenesis, cell cycle disruption and modulation of ERK/MAPK signalling pathway. J BUON. 2019 May-Jun;24(3):1204-1209. [PubMed:31424680 ]
Wang N, Fan Y, Yuan CM, Song J, Yao Y, Liu W, Gajendran B, Zacksenhaus E, Li Y, Liu J, Hao XJ, Ben-David Y: Selective ERK1/2 agonists isolated from Melia azedarach with potent anti-leukemic activity. BMC Cancer. 2019 Aug 2;19(1):764. doi: 10.1186/s12885-019-5914-8. [PubMed:31375085 ]
LOTUS database [Link]

Showing NP-Card for (1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione (NP0154571)

MOL for NP0154571 ((1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione)

3D MOL for NP0154571 ((1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione)

3D SDF for NP0154571 ((1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione)

3D-SDF for NP0154571 ((1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione)

PDB for NP0154571 ((1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione)

3D PDB for NP0154571 ((1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione)

SMILES for NP0154571 ((1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione)

INCHI for NP0154571 ((1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione)

Structure for NP0154571 ((1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione)

3D Structure for NP0154571 ((1r,2r,4r,6s,7s,10r,11r)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadeca-12,16-diene-14,18-dione)