NP-MRD: Showing NP-Card for Garcilatelic acid (NP0332288)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2023-12-22 20:11:01 UTC

Updated at

2024-09-03 04:18:43 UTC

NP-MRD ID

NP0332288

Natural Product DOI

https://doi.org/10.57994/1489

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Garcilatelic acid

Description

Garcilatelic acid is also known as garcilatelate. Garcilatelic acid was first documented in 2024 (PMID: 38251859). Based on a literature review very few articles have been published on Garcilatelic acid.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 12222320112D          

 43 48  0  0  1  0            999 V2000
   -0.0287   -0.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7066   -0.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7826    0.5903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2122    1.1863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5111    1.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2558    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0656   -0.2011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5994   -0.5409    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3183   -1.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241   -2.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8263   -1.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6093   -1.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2454   -2.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5524   -2.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4624   -3.2119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1094   -1.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8497   -1.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656   -2.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835   -0.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0881   -0.7671    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2657   -0.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735   -0.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8262   -0.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6114   -0.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7309    0.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4975    0.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6575    1.6489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1447    0.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9114    0.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5586    0.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392   -0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3109   -0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7968   -1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6725   -1.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0253   -0.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2586   -0.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3445   -1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4699   -2.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8174   -3.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0848   -2.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7415   -2.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0619    0.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0841    1.8536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 17  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
  3 22  1  0  0  0  0
  7 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 28 35  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 24 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 37 40  1  0  0  0  0
 37 41  1  0  0  0  0
 25 42  1  0  0  0  0
  6 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END


  Mrv2104 12222320112D          

 43 48  0  0  1  0            999 V2000
   -0.0287   -0.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7066   -0.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7826    0.5903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2122    1.1863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5111    1.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2558    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0656   -0.2011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5994   -0.5409    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3183   -1.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241   -2.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8263   -1.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6093   -1.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2454   -2.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5524   -2.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4624   -3.2119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1094   -1.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8497   -1.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656   -2.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835   -0.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0881   -0.7671    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2657   -0.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735   -0.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8262   -0.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6114   -0.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7309    0.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4975    0.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6575    1.6489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1447    0.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9114    0.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5586    0.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392   -0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3109   -0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7968   -1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6725   -1.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0253   -0.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2586   -0.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3445   -1.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4699   -2.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8174   -3.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0848   -2.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7415   -2.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0619    0.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0841    1.8536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 20 17  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
  3 22  1  0  0  0  0
  7 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 28 35  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 24 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 37 40  1  0  0  0  0
 37 41  1  0  0  0  0
 25 42  1  0  0  0  0
  6 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0332288

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12C[C@]3([H])C=C4C(=O)C5=C(O[C@@]14[C@@](C\C=C(/C)C(O)=O)(OC2(C)C)C3=O)C(=C1OC(C)(C)C=CC1=C5O)C(C)(C)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C33H36O8/c1-9-29(3,4)22-25-18(11-12-30(5,6)39-25)23(34)21-24(35)19-14-17-15-20-31(7,8)41-32(27(17)36,13-10-16(2)28(37)38)33(19,20)40-26(21)22/h9-12,14,17,20,34H,1,13,15H2,2-8H3,(H,37,38)/b16-10+/t17-,20-,32-,33?/m0/s1

> <INCHI_KEY>
MBENYWBYGGOHPB-BYCGXQHFSA-N

> <FORMULA>
C33H36O8

> <MOLECULAR_WEIGHT>
560.643

> <EXACT_MASS>
560.241018119

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
31.490520792894927

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-4-[(1S,2S,17R,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(2-methylbut-3-en-2-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

> <JCHEM_LOGP>
6.0031590936666674

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.576901008702158

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5570716254740735

> <JCHEM_PKA_STRONGEST_BASIC>
-4.1362215885063565

> <JCHEM_POLAR_SURFACE_AREA>
119.36000000000001

> <JCHEM_REFRACTIVITY>
154.50420000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-4-[(1S,2S,17R,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(2-methylbut-3-en-2-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 22-DEC-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-DEC-23         0                                  
HETATM    1  O   UNK     0      -0.053  -1.471   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.319  -0.447   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.461   1.102   0.000  0.00  0.00           C+0
HETATM    4  H   UNK     0       0.396   2.214   0.000  0.00  0.00           H+0
HETATM    5  C   UNK     0       2.821   1.981   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.211   1.242   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.856  -0.375   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.985  -1.010   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.328  -2.501   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.032  -3.808   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.542  -3.416   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.137  -1.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.458  -4.510   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.031  -4.118   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       0.863  -5.996   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       2.071  -2.539   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.453  -2.640   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.229  -4.240   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.263  -1.295   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.031  -1.432   0.000  0.00  0.00           C+0
HETATM   21  H   UNK     0       0.496  -1.310   0.000  0.00  0.00           H+0
HETATM   22  C   UNK     0       0.510  -0.235   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.276  -1.112   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.741  -0.582   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.964   0.942   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.395   1.510   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       8.694   3.078   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       9.604   0.555   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.035   1.124   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.243   0.169   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      12.020  -1.355   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      13.647  -1.312   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      12.687  -2.822   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      10.589  -1.923   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       9.381  -0.968   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       7.949  -1.537   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.110  -3.331   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       8.344  -5.058   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       7.126  -6.000   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       9.492  -4.260   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.984  -4.554   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       5.715   1.862   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       5.757   3.460   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4    5   22                                             
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   42                                                  
CONECT    7    6    8   20   23                                             
CONECT    8    7    2    9   16                                             
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    8   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17    7   21   22                                             
CONECT   21   20                                                            
CONECT   22   20    3                                                       
CONECT   23    7   24                                                       
CONECT   24   23   25   36                                                  
CONECT   25   24   26   42                                                  
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   35                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33   34                                             
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   31   35                                                       
CONECT   35   28   34   36                                                  
CONECT   36   35   24   37                                                  
CONECT   37   36   38   40   41                                             
CONECT   38   37   39                                                       
CONECT   39   38                                                            
CONECT   40   37                                                            
CONECT   41   37                                                            
CONECT   42   25    6   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   96    0
END

View in JSmol

Synonyms

Value	Source
Garcilatelate	Generator

Chemical Formula

C₃₃H₃₆O₈

Average Mass

560.6430 Da

Monoisotopic Mass

560.24102 Da

IUPAC Name

(2E)-4-[(1S,2S,17R,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(2-methylbut-3-en-2-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

Traditional Name

CAS Registry Number

Not Available

SMILES

[H][C@@]12C[C@]3([H])C=C4C(=O)C5=C(O[C@@]14[C@@](C\C=C(/C)C(O)=O)(OC2(C)C)C3=O)C(=C1OC(C)(C)C=CC1=C5O)C(C)(C)C=C

InChI Identifier

InChI=1S/C33H36O8/c1-9-29(3,4)22-25-18(11-12-30(5,6)39-25)23(34)21-24(35)19-14-17-15-20-31(7,8)41-32(27(17)36,13-10-16(2)28(37)38)33(19,20)40-26(21)22/h9-12,14,17,20,34H,1,13,15H2,2-8H3,(H,37,38)/b16-10+/t17-,20-,32-,33?/m0/s1

InChI Key

MBENYWBYGGOHPB-BYCGXQHFSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	Proton NMR Spectrum (1D, 600 MHz, CDCL3, experimental)	kngoto@p.kanazawa-u.ac.jp	Not Available	Not Available	2023-12-22	View Spectrum
1D NMR	Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)	kngoto@p.kanazawa-u.ac.jp	Not Available	Not Available	2023-12-22	View Spectrum
COSY NMR	[Proton, Proton] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)	kngoto@p.kanazawa-u.ac.jp	Not Available	Not Available	2023-12-22	View Spectrum
HMQC NMR	[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)	kngoto@p.kanazawa-u.ac.jp	Not Available	Not Available	2023-12-22	View Spectrum
1D NMR	Carbon¹³ NMR Spectrum (1D, 151 MHz, CDCL3, experimental)	kngoto@p.kanazawa-u.ac.jp	Not Available	Not Available	2023-12-22	View Spectrum
HMBC NMR	[Proton, Carbon¹³] NMR Spectrum (2D, 600 MHz, CDCL3, experimental)	kngoto@p.kanazawa-u.ac.jp	Not Available	Not Available	2023-12-22	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

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	6	ChemAxon
pKa (Strongest Acidic)	3.56	ChemAxon
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	119.36 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	154.5 m³·mol⁻¹	ChemAxon
Polarizability	31.49 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kobayashi A, Saito Y, Miyake K, Fukuyoshi S, Newman DJ, O'Keefe BR, Lee KH, Nakagawa-Goto K: Caged Xanthones and Biphenyls Isolated from the Tropical Plant Garcinia lateriflora. J Nat Prod. 2024 Feb 23;87(2):266-275. doi: 10.1021/acs.jnatprod.3c00934. Epub 2024 Jan 22. [PubMed:38251859 ]

Showing NP-Card for Garcilatelic acid (NP0332288)

MOL for NP0332288 (Garcilatelic acid)

3D MOL for NP0332288 (Garcilatelic acid)

3D SDF for NP0332288 (Garcilatelic acid)

3D-SDF for NP0332288 (Garcilatelic acid)

PDB for NP0332288 (Garcilatelic acid)

3D PDB for NP0332288 (Garcilatelic acid)

SMILES for NP0332288 (Garcilatelic acid)

INCHI for NP0332288 (Garcilatelic acid)

Structure for NP0332288 (Garcilatelic acid)

3D Structure for NP0332288 (Garcilatelic acid)