NP-MRD: Showing NP-Card for Poricoic acid AE (NP0138879)

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Record Information

Version

2.0

Created at

2022-06-29 19:21:26 UTC

Updated at

2022-06-29 19:21:26 UTC

NP-MRD ID

NP0138879

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Poricoic acid AE

Description

Poricoic acid AE, also known as poricoate ae, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review very few articles have been published on Poricoic acid AE.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652306292221212D          

 38 40  0  0  1  0            999 V2000
   -0.4656    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1845    0.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9495    0.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5996    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4847    1.5239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793   -0.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442   -0.7282    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8573   -1.2802    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6420   -1.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8135   -0.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2004    0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4158    0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8027    0.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9742    1.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7588    1.6928    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3719    1.1407    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0864    1.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9149    2.3602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0944    2.4464    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6819    3.1609    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8569    3.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4444    3.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2069    3.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3819    4.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6194    5.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0944    3.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6819    4.5898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9194    3.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4669    2.9733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0394    0.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2068    2.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6858   -2.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2989   -2.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9012   -2.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8071   -1.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 21 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 19 32  1  6  0  0  0
 17 33  1  6  0  0  0
 16 34  1  1  0  0  0
  9 35  1  1  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
  8 38  1  1  0  0  0
M  END

     RDKit          3D

 88 90  0  0  0  0  0  0  0  0999 V2000
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   -5.6240   -0.8981    1.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6101    2.8713    0.2047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6660   -0.1428   -0.9429 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6900   -0.5653   -2.4347 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9052   -1.9237   -2.5316 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4893   -0.5055   -1.7176 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.7583    1.1749   -2.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5595    0.1877   -1.8194 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -4.7585   -1.3910    3.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6675   -1.8688   -0.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
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 20 59  1  0
 20 60  1  0
M  END


  Mrv1652306292221212D          

 38 40  0  0  1  0            999 V2000
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    0.1845    0.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9495    0.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4158    0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2069    4.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3819    4.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6194    5.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0944    3.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6819    4.5898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9194    3.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4669    2.9733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0394    0.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2068    2.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6858   -2.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2989   -2.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9012   -2.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8071   -1.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 21 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 19 32  1  6  0  0  0
 17 33  1  6  0  0  0
 16 34  1  1  0  0  0
  9 35  1  1  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
  8 38  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0138879

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCOC(=O)CC[C@@]1(C)[C@@H](CC=C2C1=CC[C@]1(C)[C@@H]([C@@H](CCC(=C)C(C)C)C(O)=O)[C@H](O)C[C@@]21C)C(C)=C

> <INCHI_IDENTIFIER>
InChI=1S/C33H50O5/c1-10-38-28(35)16-17-31(7)24(21(4)5)13-14-26-25(31)15-18-32(8)29(27(34)19-33(26,32)9)23(30(36)37)12-11-22(6)20(2)3/h14-15,20,23-24,27,29,34H,4,6,10-13,16-19H2,1-3,5,7-9H3,(H,36,37)/t23-,24+,27-,29+,31+,32-,33+/m1/s1

> <INCHI_KEY>
RKZGUCXRSIGYMA-QSZXRLQHSA-N

> <FORMULA>
C33H50O5

> <MOLECULAR_WEIGHT>
526.758

> <EXACT_MASS>
526.36582471

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
88

> <JCHEM_AVERAGE_POLARIZABILITY>
61.499866754092594

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(3-ethoxy-3-oxopropyl)-2-hydroxy-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,6H,7H,8H,9bH-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid

> <ALOGPS_LOGP>
6.45

> <JCHEM_LOGP>
5.990537200333332

> <ALOGPS_LOGS>
-5.51

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.900497410735714

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.77477428291498

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8546782916907754

> <JCHEM_POLAR_SURFACE_AREA>
83.83

> <JCHEM_REFRACTIVITY>
153.79440000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.64e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(3-ethoxy-3-oxopropyl)-2-hydroxy-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-1H,2H,3H,4H,7H,8H-cyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JUN-22         0                                  
HETATM    1  C   UNK     0      -0.869   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.344   0.948   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.772   0.371   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       2.986   1.320   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       2.772   2.845   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       4.414   0.743   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.628  -0.782   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.056  -1.359   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.200  -2.390   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.665  -1.914   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.985  -0.407   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.841   0.623   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.376   0.147   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.232   1.178   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.552   2.684   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.016   3.160   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.161   2.129   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.495   2.899   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.174   4.406   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.643   4.567   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.873   5.900   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.333   5.900   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.563   7.234   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.023   7.234   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.253   5.900   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.253   8.568   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.713   8.568   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.023   9.901   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.643   7.234   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.873   8.568   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       9.183   7.234   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      10.205   5.550   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       9.407   1.224   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.986   4.304   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.880  -3.896   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.025  -4.927   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.416  -4.372   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.240  -2.665   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   13   38                                             
CONECT    9    8   10   35                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   17                                                  
CONECT   13   12    8   14                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   20   34                                             
CONECT   17   16   12   18   33                                             
CONECT   18   17   19                                                       
CONECT   19   18   20   32                                                  
CONECT   20   19   16   21                                                  
CONECT   21   20   22   29                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   21   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   19                                                            
CONECT   33   17                                                            
CONECT   34   16                                                            
CONECT   35    9   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38    8                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   80    0
END

View in JSmol

Synonyms

Value	Source
Poricoate ae	Generator

Chemical Formula

C₃₃H₅₀O₅

Average Mass

526.7580 Da

Monoisotopic Mass

526.36582 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

1159753-88-4

SMILES

CCOC(=O)CC[C@@]1(C)[C@@H](CC=C2C1=CC[C@]1(C)[C@@H]([C@@H](CCC(=C)C(C)C)C(O)=O)[C@H](O)C[C@@]21C)C(C)=C

InChI Identifier

InChI=1S/C33H50O5/c1-10-38-28(35)16-17-31(7)24(21(4)5)13-14-26-25(31)15-18-32(8)29(27(34)19-33(26,32)9)23(30(36)37)12-11-22(6)20(2)3/h14-15,20,23-24,27,29,34H,4,6,10-13,16-19H2,1-3,5,7-9H3,(H,36,37)/t23-,24+,27-,29+,31+,32-,33+/m1/s1

InChI Key

RKZGUCXRSIGYMA-QSZXRLQHSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Medium-chain fatty acid
Branched fatty acid
Fatty acid ester
Hydroxy fatty acid
Methyl-branched fatty acid
Unsaturated fatty acid
Dicarboxylic acid or derivatives
Fatty acyl
Cyclic alcohol
Secondary alcohol
Carboxylic acid ester
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organooxygen compound
Alcohol
Organic oxide
Carbonyl group
Hydrocarbon derivative
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

78440875

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

102480392

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Poricoic acid AE (NP0138879)

MOL for NP0138879 (Poricoic acid AE)

3D MOL for NP0138879 (Poricoic acid AE)

3D SDF for NP0138879 (Poricoic acid AE)

3D-SDF for NP0138879 (Poricoic acid AE)

PDB for NP0138879 (Poricoic acid AE)

3D PDB for NP0138879 (Poricoic acid AE)

SMILES for NP0138879 (Poricoic acid AE)

INCHI for NP0138879 (Poricoic acid AE)

Structure for NP0138879 (Poricoic acid AE)

3D Structure for NP0138879 (Poricoic acid AE)