NP-MRD: Showing NP-Card for 1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone (NP0223795)

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Record Information

Version

2.0

Created at

2022-09-06 01:59:17 UTC

Updated at

2022-09-06 01:59:18 UTC

NP-MRD ID

NP0223795

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone

Description

Oplopanone belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone is found in Acorus calamus, Agastache rugosa, Artemisia campestris, Calendula officinalis, Casearia sylvestris, Chamaecyparis formosensis, Chamaecyparis pisifera, Chrysanthemum indicum, Cryptomeria japonica, Disynaphia multicrenulata, Hedychium gardnerianum, Schefflera taiwaniana, Homalomena aromatica, Jacobaea argunensis, Juniperus communis, Juniperus sabina, Juniperus thurifera, Larix kaempferi, Laurus nobilis, Liatris microcephala, Magnolia biondii, Magnolia praecocissima, Pallenis spinosa, Petasites tatewakianus, Picea jezoensis, Pseudobrickellia brasiliensis, Pulicaria paludosa, Raulinoa echinata, Renealmia cincinnata, Santolina chamaecyparissus, Santolina rosmarinifolia, Senecio microglossus and Sinacalia tangutica. 1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone was first documented in 2016 (PMID: 28905602). Based on a literature review a small amount of articles have been published on Oplopanone (PMID: 28480740) (PMID: 33982521) (PMID: 34263530) (PMID: 34752969).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
    3.5733    1.0627    1.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1363    0.7685    0.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3615    0.7914    1.8952 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7037    0.4612   -0.3814 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4977   -0.8096   -0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5582   -1.8623   -0.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2174   -1.3570   -0.6594 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3046    0.1264   -0.6445 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7639    0.7156    0.1952 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8935    2.2147    0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1291    2.6134    0.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9800    2.6975   -1.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0822    0.1617   -0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1771   -1.2568    0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8527   -1.9424    0.2022 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0239   -3.3930   -0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4561   -1.9513    1.5411 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937    2.0643    1.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1620    1.1242    0.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586    0.3071    1.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0840    1.2531   -1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125   -0.9291   -1.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4834   -0.8128   -0.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8026   -2.8722   -0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -1.9143    0.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1246   -1.7432   -1.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0715    0.4705   -1.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7961    0.4144    1.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0475    2.7476    0.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9751    3.5787    1.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2911    1.8550    1.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9994    2.7524    0.2379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3535    1.9853   -2.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5997    3.6229   -1.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0566    3.0284   -1.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9618    0.1338   -1.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9475    0.7379   -0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6900   -1.2150    1.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571   -1.8190   -0.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0335   -3.7795    0.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2121   -4.0031    0.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9367   -3.4132   -1.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9716   -2.6151    2.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  1  0
 10 12  1  0
 10  9  1  0
  9 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  1
 15  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  8  1  0
  4  2  1  0
  2  1  1  0
  2  3  2  0
  8  9  1  0
  8  7  1  0
 11 30  1  0
 11 31  1  0
 11 32  1  0
 10 29  1  0
 12 33  1  0
 12 34  1  0
 12 35  1  0
  9 28  1  1
 13 36  1  0
 13 37  1  0
 14 38  1  0
 14 39  1  0
 16 40  1  0
 16 41  1  0
 16 42  1  0
 17 43  1  0
  7 26  1  6
  6 24  1  0
  6 25  1  0
  5 22  1  0
  5 23  1  0
  4 21  1  6
  8 27  1  6
  1 18  1  0
  1 19  1  0
  1 20  1  0
M  END


  Mrv1652309062203592D          

 17 18  0  0  0  0            999 V2000
   -1.2054    0.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536    1.3672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    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
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7429   -2.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9683   -2.2514    0.0000 O   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
  2  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
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  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
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0223795

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1CCC(C)(O)C2CCC(C12)C(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4,17)13-6-5-12(10(3)16)14(11)13/h9,11-14,17H,5-8H2,1-4H3

> <INCHI_KEY>
WLXJHVQYKOJBBN-UHFFFAOYSA-N

> <FORMULA>
C15H26O2

> <MOLECULAR_WEIGHT>
238.371

> <EXACT_MASS>
238.193280077

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
28.398489882866656

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-[4-hydroxy-4-methyl-7-(propan-2-yl)-octahydro-1H-inden-1-yl]ethan-1-one

> <JCHEM_LOGP>
2.7650817099999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.974378620248185

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.431960558543118

> <JCHEM_PKA_STRONGEST_BASIC>
-0.6230067105262308

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
69.22189999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -2.250   1.728   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.744   1.408   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       0.287   2.552   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -0.268  -0.057   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.173  -1.303   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.268  -2.549   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.197  -0.533   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.530   0.237   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.530   1.777   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.197   2.547   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.864   2.547   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.864  -0.533   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.864  -2.073   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.530  -2.843   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.253  -4.203   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       1.807  -4.203   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    8                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   15                                                  
CONECT    8    7    4    9                                                  
CONECT    9    8   10   13                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    9   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14    7   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

C₁₅H₂₆O₂

Average Mass

238.3710 Da

Monoisotopic Mass

238.19328 Da

IUPAC Name

1-[4-hydroxy-4-methyl-7-(propan-2-yl)-octahydro-1H-inden-1-yl]ethan-1-one

Traditional Name

1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone

CAS Registry Number

Not Available

SMILES

CC(C)C1CCC(C)(O)C2CCC(C12)C(C)=O

InChI Identifier

InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4,17)13-6-5-12(10(3)16)14(11)13/h9,11-14,17H,5-8H2,1-4H3

InChI Key

WLXJHVQYKOJBBN-UHFFFAOYSA-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
Acorus calamus	LOTUS Database	35616633
Agastache rugosa	LOTUS Database	35616633
Artemisia campestris	LOTUS Database	35616633
Calendula officinalis	LOTUS Database	35616633
Casearia sylvestris	LOTUS Database	35616633
Chamaecyparis formosensis	LOTUS Database	35616633
Chamaecyparis pisifera	LOTUS Database	35616633
Chrysanthemum indicum	LOTUS Database	35616633
Cryptomeria japonica	LOTUS Database	35616633
Disynaphia multicrenulata	LOTUS Database	35616633
Hedychium gardnerianum	LOTUS Database	35616633
Heptapleurum taiwanianum	LOTUS Database	35616633
Homalomena aromatica	LOTUS Database	35616633
Jacobaea argunensis	LOTUS Database	35616633
Juniperus communis	LOTUS Database	35616633
Juniperus sabina	LOTUS Database	35616633
Juniperus thurifera	LOTUS Database	35616633
Larix kaempferi	LOTUS Database	35616633
Laurus nobilis	LOTUS Database	35616633
Liatris microcephala	LOTUS Database	35616633
Magnolia biondii	LOTUS Database	35616633
Magnolia praecocissima	LOTUS Database	35616633
Pallenis spinosa	LOTUS Database	35616633
Petasites tatewakianus	LOTUS Database	35616633
Picea jezoensis	LOTUS Database	35616633
Pseudobrickellia brasiliensis	LOTUS Database	35616633
Pulicaria paludosa	LOTUS Database	35616633
Raulinoa echinata	LOTUS Database	35616633
Renealmia cincinnata	LOTUS Database	35616633
Santolina chamaecyparissus	LOTUS Database	35616633
Santolina rosmarinifolia	LOTUS Database	35616633
Senecio microglossus	LOTUS Database	35616633
Sinacalia tangutica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Oplopane sesquiterpenoid
Sesquiterpenoid
Tertiary alcohol
Cyclic alcohol
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	2.77	ChemAxon
pKa (Strongest Acidic)	19.43	ChemAxon
pKa (Strongest Basic)	-0.62	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	69.22 m³·mol⁻¹	ChemAxon
Polarizability	28.4 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

C00020236

Chemspider ID

470105

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

539857

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Ye J, Xiao MT, Zan K, Huang YY, Zhang XQ: [Sesquiterpenoids from rhizome of Homalomena occulta]. Zhongguo Zhong Yao Za Zhi. 2016 Jul;41(14):2655-2659. doi: 10.4268/cjcmm20161415. [PubMed:28905602 ]
Ren HC, Zhang J, Liang H: Two new p-coumaroylated sesquiterpenoids from Pilea cavaleriei. J Asian Nat Prod Res. 2018 Feb;20(2):109-116. doi: 10.1080/10286020.2017.1320990. Epub 2017 May 7. [PubMed:28480740 ]
Bian YT, Chen FY, Huang WM, Chen ZC, Shuang PC, Luo YM: [A new sesquiterpene from Chloranthus henryi]. Zhongguo Zhong Yao Za Zhi. 2021 Apr;46(8):2067-2071. doi: 10.19540/j.cnki.cjcmm.20201216.601. [PubMed:33982521 ]
Silva ML, Costa-Silva TA, Antar GM, Tempone AG, Lago JHG: Chemical Constituents from Aerial Parts of Baccharis sphenophylla and Effects against Intracellular Forms of Trypanosoma cruzi. Chem Biodivers. 2021 Oct;18(10):e2100466. doi: 10.1002/cbdv.202100466. Epub 2021 Aug 4. [PubMed:34263530 ]
Cui P, Chen F, Ma G, Liu W, Chen L, Wang S, Li W, Li Z, Huang G: Oxyphyllanene B overcomes temozolomide resistance in glioblastoma: Structure-activity relationship and mitochondria-associated ER membrane dysfunction. Phytomedicine. 2022 Jan;94:153816. doi: 10.1016/j.phymed.2021.153816. Epub 2021 Oct 19. [PubMed:34752969 ]
LOTUS database [Link]

Showing NP-Card for 1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone (NP0223795)

MOL for NP0223795 (1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone)

3D MOL for NP0223795 (1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone)

3D SDF for NP0223795 (1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone)

3D-SDF for NP0223795 (1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone)

PDB for NP0223795 (1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone)

3D PDB for NP0223795 (1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone)

SMILES for NP0223795 (1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone)

INCHI for NP0223795 (1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone)

Structure for NP0223795 (1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone)

3D Structure for NP0223795 (1-(4-hydroxy-7-isopropyl-4-methyl-octahydroinden-1-yl)ethanone)