NP-MRD: Showing NP-Card for 3-[(1r,2s)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid (NP0246351)

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Record Information

Version

1.0

Created at

2022-09-07 07:47:40 UTC

Updated at

2022-09-07 07:47:40 UTC

NP-MRD ID

NP0246351

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-[(1r,2s)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid

Description

Phellilin B belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. 3-[(1r,2s)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid is found in Tropicoporus linteus. It was first documented in 2022 (PMID: 36088043). Based on a literature review a significant number of articles have been published on Phellilin B (PMID: 36087713) (PMID: 36087927) (PMID: 36087886) (PMID: 36087866) (PMID: 36087840) (PMID: 36087806).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 41  0  0  0  0  0  0  0  0999 V2000
    3.5003   -1.2751   -0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5919   -0.4267    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1251    0.5186    0.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553    0.7330    0.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0539    1.6586    1.7293 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4925    0.0078    0.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1718   -0.7102    0.1216 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5954   -0.4890   -1.2906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.7725   -0.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8778   -1.2522   -1.6405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1426   -1.3514   -0.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4566   -0.1181   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517    0.5352    0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5372    0.6906    2.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0784    1.8798   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0918   -0.3945    0.4458 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2334    0.1393    0.9171 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4214    1.4840    0.5792 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032   -0.6459   -1.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862   -2.0027   -1.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1874   -1.8837    0.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4946    1.1468    1.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0717    0.4260   -0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9480   -1.7703    0.3834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6998    0.5723   -1.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0342   -1.1749   -2.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7986   -1.5500   -2.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9684   -1.4976   -1.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0998   -2.2388   -0.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9908    0.5884   -0.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1951   -0.4228    0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2667    1.5059    2.2371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9923   -0.2667    2.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5696    0.8755    2.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0535    2.1855   -0.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3559    1.8242   -0.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8729    2.6813    0.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3073   -1.3015    1.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3576    0.0149    2.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    2.0769    1.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  6  1  0
  4  5  2  0
  2  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 17  7  1  0
 16  9  1  0
  1 19  1  0
  1 20  1  0
  1 21  1  0
  3 22  1  0
  6 23  1  0
  7 24  1  1
  8 25  1  0
  8 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
 12 30  1  0
 12 31  1  0
 14 32  1  0
 14 33  1  0
 14 34  1  0
 15 35  1  0
 15 36  1  0
 15 37  1  0
 16 38  1  1
 17 39  1  1
 18 40  1  0
M  END


  Mrv1652309072209472D          

 18 19  0  0  1  0            999 V2000
   -0.5837   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    0.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212    0.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8212   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1681   -2.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1075   -2.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    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
  3  4  1  4  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  2  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0246351

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=CC(O)=O)[C@@H]1CC2=CCCC(C)(C)C2[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C15H22O3/c1-9(7-12(16)17)11-8-10-5-4-6-15(2,3)13(10)14(11)18/h5,7,11,13-14,18H,4,6,8H2,1-3H3,(H,16,17)/t11-,13?,14+/m0/s1

> <INCHI_KEY>
GNCWMCSOOYUYGR-JDZGAICCSA-N

> <FORMULA>
C15H22O3

> <MOLECULAR_WEIGHT>
250.338

> <EXACT_MASS>
250.156894568

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
27.46880114134368

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-[(2S,3R)-3-hydroxy-4,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-2-yl]but-2-enoic acid

> <JCHEM_LOGP>
2.270068035666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.928898717860696

> <JCHEM_PKA_STRONGEST_BASIC>
-0.3766119632311641

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
71.68249999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
3-[(1R,2S)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid

> <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      -1.090  -2.637   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.320  -1.303   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.090   0.031   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.630   0.031   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -3.400   1.365   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      -3.400  -1.303   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.126  -0.057   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.914  -4.023   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.934  -4.023   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.126  -2.549   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       1.650  -4.013   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    2    8   17                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   16                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15   16                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   13    9   17                                                  
CONECT   17   16    7   18                                                  
CONECT   18   17                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   38    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₂O₃

Average Mass

250.3380 Da

Monoisotopic Mass

250.15689 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(=CC(O)=O)[C@@H]1CC2=CCCC(C)(C)C2[C@@H]1O

InChI Identifier

InChI=1S/C15H22O3/c1-9(7-12(16)17)11-8-10-5-4-6-15(2,3)13(10)14(11)18/h5,7,11,13-14,18H,4,6,8H2,1-3H3,(H,16,17)/t11-,13?,14+/m0/s1

InChI Key

GNCWMCSOOYUYGR-JDZGAICCSA-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
Tropicoporus linteus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Bicyclic monoterpenoids

Alternative Parents

Substituents

Bicyclic monoterpenoid
Hydroxy fatty acid
Fatty acyl
Fatty acid
Unsaturated fatty acid
Cyclic alcohol
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139583931

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

O'Byrne LJ, Bodunde EO, Maher GM, Khashan AS, Greene RM, Browne JP, Mccarthy FP: Patient reported outcome measures evaluating postpartum maternal health and wellbeing: a systematic review and evaluation of measurement properties. Am J Obstet Gynecol MFM. 2022 Sep 7:100743. doi: 10.1016/j.ajogmf.2022.100743. [PubMed:36087713 ]
Motahari Rad H, Mowla SJ, Ramazanali F, Rezazadeh Valojerdi M: Characterization of altered microRNAs related to different phenotypes of polycystic ovarian syndrome (PCOS) in serum, follicular fluid, and cumulus cells. Taiwan J Obstet Gynecol. 2022 Sep;61(5):768-779. doi: 10.1016/j.tjog.2022.05.013. [PubMed:36088043 ]
Pontrelli G, Huscher C, Scioscia M, Brusca F, Tedeschi U, Greco P, Mancarella M, Biglia N, Novara L: End-to-end versus side-to-end anastomosis after bowel resection for deep infiltrating endometriosis: a retrospective study. J Gynecol Obstet Hum Reprod. 2022 Sep 7:102472. doi: 10.1016/j.jogoh.2022.102472. [PubMed:36087927 ]
Qi H, Cai H, Liu X, Liu S, Ding C, Xu M: The cytokinin type-B response regulator PeRR12 is a negative regulator of adventitious rooting and salt tolerance in poplar. Plant Sci. 2022 Sep 7:111456. doi: 10.1016/j.plantsci.2022.111456. [PubMed:36087886 ]
Shah L, Latif A, Williams KJ, Tirella A: Role of stiffness and physico-chemical properties of tumour microenvironment on breast cancer cell stemness. Acta Biomater. 2022 Sep 7. pii: S1742-7061(22)00557-8. doi: 10.1016/j.actbio.2022.08.074. [PubMed:36087866 ]
Temme JS, Crainic JA, Walker LM, Yang W, Tan Z, Huang X, Gildersleeve JC: Microarray-guided evaluation of the frequency, B cell origins, and selectivity of human glycan-binding antibodies reveals new insights and novel antibodies. J Biol Chem. 2022 Sep 7:102468. doi: 10.1016/j.jbc.2022.102468. [PubMed:36087840 ]
Huang MZ, Rogers MW, Pizac D, Gruber-Baldini AL, Orwig D, Hochberg MC, Beamer BA, Creath RA, Savin DN, Conroy VM, Mangione KK, Craik R, Zhang LQ, Magaziner J: Effect of Multicomponent Home-Based Training on Gait and Muscle Strength in Older Adults After Hip Fracture Surgery: A Single Site Randomized Trial. Arch Phys Med Rehabil. 2023 Feb;104(2):169-178. doi: 10.1016/j.apmr.2022.08.974. Epub 2022 Sep 7. [PubMed:36087806 ]
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LOTUS database [Link]

Showing NP-Card for 3-[(1r,2s)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid (NP0246351)

MOL for NP0246351 (3-[(1r,2s)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid)

3D MOL for NP0246351 (3-[(1r,2s)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid)

3D SDF for NP0246351 (3-[(1r,2s)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid)

3D-SDF for NP0246351 (3-[(1r,2s)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid)

PDB for NP0246351 (3-[(1r,2s)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid)

3D PDB for NP0246351 (3-[(1r,2s)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid)

SMILES for NP0246351 (3-[(1r,2s)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid)

INCHI for NP0246351 (3-[(1r,2s)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid)

Structure for NP0246351 (3-[(1r,2s)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid)

3D Structure for NP0246351 (3-[(1r,2s)-1-hydroxy-7,7-dimethyl-1,2,3,5,6,7a-hexahydroinden-2-yl]but-2-enoic acid)