NP-MRD: Showing NP-Card for (5s,6s)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one (NP0241964)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-07 02:09:35 UTC

Updated at

2022-09-07 02:09:36 UTC

NP-MRD ID

NP0241964

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(5s,6s)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one

Description

Curzerenone belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. (5s,6s)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one is found in Commiphora gileadensis, Commiphora myrrha, Commiphora sphaerocarpa, Commiphora wightii, Curcuma zedoaria and Prumnopitys andina. (5s,6s)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one was first documented in 2022 (PMID: 35658750). Based on a literature review a small amount of articles have been published on Curzerenone (PMID: 35893636) (PMID: 35745024) (PMID: 35658209) (PMID: 35582102).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 35 36  0  0  0  0  0  0  0  0999 V2000
   -2.1743   -1.8240    2.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1546   -1.4229    1.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2615   -0.4035    0.2291 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7155   -0.1018    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7469   -1.1090   -0.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7056   -1.2937   -0.9938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4197   -2.1305   -1.7172 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6835   -1.9808   -1.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8089   -1.0128   -0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0078   -0.4679    0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5196   -0.5738   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0106    0.4191    0.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7102    0.9931    1.5511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4433    0.7789    0.6216 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5307    1.9625   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5543    2.4215   -0.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7847    2.7186   -0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0281   -2.5557    2.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1695   -1.4391    1.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1774   -1.8383    1.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1790    0.3566    0.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9670    0.4806   -0.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3156   -1.0603   -0.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2150   -2.1160   -1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1166   -0.6005   -1.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5304   -2.5146   -1.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9393   -0.7252   -0.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9401    0.6380    0.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0332   -0.8449    1.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7265    1.0613    1.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5298    1.9183   -0.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5697    3.2935   -1.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5040    3.8184   -0.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1900    2.6157   -1.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    2.5390    0.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 15  1  0
 15 16  2  3
 15 14  1  0
 14 12  1  0
 12 13  2  0
 12 11  1  0
 11  6  2  0
  6  5  1  0
  5  3  1  0
  3  4  1  0
  3  2  1  1
  2  1  2  3
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  3 14  1  0
  9 11  1  0
 17 33  1  0
 17 34  1  0
 17 35  1  0
 16 31  1  0
 16 32  1  0
 14 30  1  1
  5 24  1  0
  5 25  1  0
  4 21  1  0
  4 22  1  0
  4 23  1  0
  2 20  1  0
  1 18  1  0
  1 19  1  0
  8 26  1  0
 10 27  1  0
 10 28  1  0
 10 29  1  0
M  END


  Mrv1652309072204092D          

 17 18  0  0  1  0            999 V2000
    1.8219   -0.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3522    0.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.1104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8825    1.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    3.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7845    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    3.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  6 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0241964

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=C)[C@@H]1C(=O)C2=C(C[C@@]1(C)C=C)OC=C2C

> <INCHI_IDENTIFIER>
InChI=1S/C15H18O2/c1-6-15(5)7-11-12(10(4)8-17-11)14(16)13(15)9(2)3/h6,8,13H,1-2,7H2,3-5H3/t13-,15-/m1/s1

> <INCHI_KEY>
ZVMJXSJCBLRAPD-UKRRQHHQSA-N

> <FORMULA>
C15H18O2

> <MOLECULAR_WEIGHT>
230.307

> <EXACT_MASS>
230.13067982

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
25.895056665727413

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5S,6S)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-one

> <JCHEM_LOGP>
3.3534603653333335

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.612283172663723

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9360609452830775

> <JCHEM_POLAR_SURFACE_AREA>
30.21

> <JCHEM_REFRACTIVITY>
69.0832

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(5S,6S)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one

> <JCHEM_VEBER_RULE>
1

$$$$

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       3.401  -0.554   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.391   0.626   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.864   2.073   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.381   2.340   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.530   1.303   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.197   2.073   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.268   1.597   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.173   2.843   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.268   4.089   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.744   5.553   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.197   3.613   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.530   4.383   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.530   5.923   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.864   3.613   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.198   4.383   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.531   3.613   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.198   5.923   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5   14                                             
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9    6   12                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    3   15                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₁₈O₂

Average Mass

230.3070 Da

Monoisotopic Mass

230.13068 Da

IUPAC Name

(5S,6S)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-one

Traditional Name

(5S,6S)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one

CAS Registry Number

Not Available

SMILES

CC(=C)[C@@H]1C(=O)C2=C(C[C@@]1(C)C=C)OC=C2C

InChI Identifier

InChI=1S/C15H18O2/c1-6-15(5)7-11-12(10(4)8-17-11)14(16)13(15)9(2)3/h6,8,13H,1-2,7H2,3-5H3/t13-,15-/m1/s1

InChI Key

ZVMJXSJCBLRAPD-UKRRQHHQSA-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
Commiphora gileadensis	LOTUS Database	35616633
Commiphora myrrha	LOTUS Database	35616633
Commiphora sphaerocarpa	LOTUS Database	35616633
Commiphora wightii	LOTUS Database	35616633
Curcuma zedoaria	LOTUS Database	35616633
Prumnopitys andina	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Aromatic monoterpenoids

Alternative Parents

Substituents

Menthofuran monoterpenoid
Aromatic monoterpenoid
Bicyclic monoterpenoid
Benzofuran
Aryl ketone
Aryl alkyl ketone
Furan
Heteroaromatic compound
Ketone
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
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	3.35	ChemAxon
pKa (Strongest Acidic)	18.61	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	30.21 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	69.08 m³·mol⁻¹	ChemAxon
Polarizability	25.9 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	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

C00011972

Chemspider ID

8552009

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Curzerenone

METLIN ID

Not Available

PubChem Compound

10376566

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Al-Amin M, Eltayeb NM, Hossain CF, Rahiman SSF, Khairuddean M, Muhamad Salhimi S: Bioactive compounds from Curcuma aeruginosa and the effect of comosone II on the migration and invasion of breast cancer cells. J Asian Nat Prod Res. 2022 Jun 4:1-12. doi: 10.1080/10286020.2022.2081562. [PubMed:35658750 ]
Poudel DK, Ojha PK, Rokaya A, Satyal R, Satyal P, Setzer WN: Analysis of Volatile Constituents in Curcuma Species, viz. C. aeruginosa, C. zedoaria, and C. longa, from Nepal. Plants (Basel). 2022 Jul 26;11(15):1932. doi: 10.3390/plants11151932. [PubMed:35893636 ]
Ulrich J, Stiltz S, St-Gelais A, El Gaafary M, Simmet T, Syrovets T, Schmiech M: Phytochemical Composition of Commiphora Oleogum Resins and Their Cytotoxicity against Skin Cancer Cells. Molecules. 2022 Jun 17;27(12):3903. doi: 10.3390/molecules27123903. [PubMed:35745024 ]
Zohmachhuana A, Malsawmdawngliana, Lalnunmawia F, Mathipi V, Lalrinzuali K, Kumar NS: Curcuma aeruginosa Roxb. exhibits cytotoxicity in A-549 and HeLa cells by inducing apoptosis through caspase-dependent pathways. Biomed Pharmacother. 2022 Jun;150:113039. doi: 10.1016/j.biopha.2022.113039. Epub 2022 May 12. [PubMed:35658209 ]
Teng YJ, Deng Z, Ouyang ZG, Zhou Q, Mei S, Fan XX, Wu YR, Long HP, Fang LY, Yin DL, Zhang BY, Guo YM, Zhu WH, Huang Z, Zheng P, Ning DM, Tian XF: Xihuang pills induce apoptosis in hepatocellular carcinoma by suppressing phosphoinositide 3-kinase/protein kinase-B/mechanistic target of rapamycin pathway. World J Gastrointest Oncol. 2022 Apr 15;14(4):872-886. doi: 10.4251/wjgo.v14.i4.872. [PubMed:35582102 ]
LOTUS database [Link]

Showing NP-Card for (5s,6s)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one (NP0241964)

MOL for NP0241964 ((5s,6s)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one)

3D MOL for NP0241964 ((5s,6s)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one)

3D SDF for NP0241964 ((5s,6s)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one)

3D-SDF for NP0241964 ((5s,6s)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one)

PDB for NP0241964 ((5s,6s)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one)

3D PDB for NP0241964 ((5s,6s)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one)

SMILES for NP0241964 ((5s,6s)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one)

INCHI for NP0241964 ((5s,6s)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one)

Structure for NP0241964 ((5s,6s)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one)

3D Structure for NP0241964 ((5s,6s)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-1-benzofuran-4-one)