NP-MRD: Showing NP-Card for patchoulol (NP0144015)

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Record Information

Version

2.0

Created at

2022-09-01 22:53:25 UTC

Updated at

2024-09-03 04:16:50 UTC

NP-MRD ID

NP0144015

Natural Product DOI

https://doi.org/10.57994/0825

Secondary Accession Numbers

None

Natural Product Identification

Common Name

patchoulol

Description

Patchouli alcohol, also known as patchoulol, belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). patchoulol is found in Pogostemon cablin, Teucrium leucocladum and Valeriana officinalis. patchoulol was first documented in 2022 (PMID: 36015115). Based on a literature review a small amount of articles have been published on patchouli alcohol (PMID: 36042499) (PMID: 35961188) (PMID: 35958917) (PMID: 35720186).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    3.0334    0.8674    1.3157 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2719    0.0839    0.2546 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9269   -1.2971    0.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4803   -1.6183    0.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4274   -0.9609   -0.2066 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0011   -1.9223   -1.0782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6243   -0.2673    0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505   -0.7638    1.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9019   -0.5382   -0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2702    1.1896    0.5436 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4453    1.8031   -0.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.9817   -1.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2960    0.0057   -1.1186 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1007   -0.6497   -2.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1188    0.9106   -0.2001 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1951    1.3418    0.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7189    1.9307    1.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1282    0.8546    1.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    0.3827    2.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9768    0.0089   -0.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712   -2.0802    0.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4060   -1.4360    1.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -2.7415    0.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1676   -1.4700    1.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1044   -1.5766   -1.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2365   -0.2164    2.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9147   -0.4769    2.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8258   -1.8548    1.9426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0917   -0.0035   -1.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7374   -0.2860    0.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9760   -1.6222   -0.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757    1.6994    1.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0360    2.8523   -0.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028    1.9429   -1.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2324    0.5109   -2.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0429    1.6984   -2.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9899   -0.0339   -2.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5076   -0.6490   -3.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3274   -1.7197   -2.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4646    1.7502   -0.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3532    2.4562    1.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.9133    1.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  6
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 15  2  1  0
 13  5  1  0
 16 10  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  2 20  1  6
  3 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  6 25  1  0
  8 26  1  0
  8 27  1  0
  8 28  1  0
  9 29  1  0
  9 30  1  0
  9 31  1  0
 10 32  1  1
 11 33  1  0
 11 34  1  0
 12 35  1  0
 12 36  1  0
 14 37  1  0
 14 38  1  0
 14 39  1  0
 15 40  1  6
 16 41  1  0
 16 42  1  0
M  END


  Mrv1652309022200532D          

 16 18  0  0  1  0            999 V2000
    0.1444   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8062   -0.9504    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6866   -0.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080    0.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1616   -0.1032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7534    0.4717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7311   -1.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8485   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3273   -0.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3024   -1.0366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3684   -0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5705    0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.5902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1966   -0.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6229   -1.3253    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5121   -1.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  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
  5 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  1  0  0  0
 10 16  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0144015

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1C3

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1

> <INCHI_KEY>
GGHMUJBZYLPWFD-CUZKYEQNSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.372

> <EXACT_MASS>
222.198365457

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
26.749266639130827

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.0^{3,8}]undecan-3-ol

> <ALOGPS_LOGP>
4.19

> <JCHEM_LOGP>
3.5033453626666664

> <ALOGPS_LOGS>
-4.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
0.2907522675014106

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
66.21849999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.30e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.0^{3,8}]undecan-3-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       0.270  -2.694   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.505  -1.774   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.282  -0.179   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.628   0.672   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.035  -0.193   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.140   0.880   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.098  -2.040   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.317  -0.515   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.211  -0.975   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.164  -1.935   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.288  -0.251   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.798   0.470   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.644  -1.102   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.234  -0.483   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.029  -2.474   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.689  -3.152   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   15                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7   13                                             
CONECT    6    5                                                            
CONECT    7    5    8    9   10                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7   11   16                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    5   14   15                                             
CONECT   14   13                                                            
CONECT   15   13    2   16                                                  
CONECT   16   15   10                                                       
MASTER        0    0    0    0    0    0    0    0   16    0   36    0
END

View in JSmol

Synonyms

Value	Source
(-)-(1R,3R,6S,7S,8S)-2,2,6,8-Tetramethyltricyclo[5.3.1.0(3,8)]undecan-3-ol	ChEBI
(-)-Patchouli alcohol	ChEBI
(-)-Patchoulol	ChEBI
[1R-(1alpha,4beta,4Aalpha,6beta,8aalpha)]-octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol	ChEBI
Patchoulanol	ChEBI
Patchouli camphor	ChEBI
Patchoulic alcohol	ChEBI
Patchoulol	ChEBI
[1R-(1a,4b,4Aalpha,6b,8aalpha)]-octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol	Generator
[1R-(1Α,4β,4aalpha,6β,8aalpha)]-octahydro-4,8a,9,9-tetramethyl-1,6-methano-1(2H)-naphthol	Generator

Chemical Formula

C₁₅H₂₆O

Average Mass

222.3720 Da

Monoisotopic Mass

222.19837 Da

IUPAC Name

(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.0^{3,8}]undecan-3-ol

Traditional Name

(1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.0^{3,8}]undecan-3-ol

CAS Registry Number

Not Available

SMILES

C[C@H]1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1C3

InChI Identifier

InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1

InChI Key

GGHMUJBZYLPWFD-CUZKYEQNSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
TOCSY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)	john.cort@pnnl.gov	Not Available	Not Available	2023-08-23	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)	john.cort@pnnl.gov	Not Available	Not Available	2023-08-23	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)	john.cort@pnnl.gov	Not Available	Not Available	2023-08-23	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)	john.cort@pnnl.gov	Not Available	Not Available	2023-08-23	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)	john.cort@pnnl.gov	Not Available	Not Available	2023-08-23	View Spectrum
NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CDCL3, experimental)	john.cort@pnnl.gov	Not Available	Not Available	2023-08-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, CDCL3, experimental)	john.cort@pnnl.gov	Not Available	Not Available	2023-08-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCL3, experimental)	john.cort@pnnl.gov	Not Available	Not Available	2023-08-23	View Spectrum

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
Pogostemon cablin	LOTUS Database	35616633
Teucrium leucocladum	LOTUS Database	35616633
Valeriana officinalis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Alcohols and polyols

Direct Parent

Tertiary alcohols

Alternative Parents

Substituents

Tertiary alcohol
Cyclic alcohol
Hydrocarbon derivative
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

tertiary alcohol (CHEBI:7940 )
sesquiterpenoid (CHEBI:7940 )
carbotricyclic compound (CHEBI:7940 )

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	4.19	ALOGPS
logP	3.5	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Basic)	0.29	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	66.22 m³·mol⁻¹	ChemAxon
Polarizability	26.75 Å³	ChemAxon
Number of Rings	3	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

C00003168

Chemspider ID

9130391

KEGG Compound ID

Not Available

BioCyc ID

CPD-11399

BiGG ID

Not Available

Wikipedia Link

Patchoulol

METLIN ID

Not Available

PubChem Compound

10955174

PDB ID

Not Available

ChEBI ID

7940

Good Scents ID

rw1040361

References

General References

Oliveira TAS, Vieira TM, Esperandim VR, Martins CHG, Magalhaes LG, Miranda MLD, Crotti AEM: Antibacterial, Antiparasitic, and Cytotoxic Activities of Chemical Characterized Essential Oil of Chrysopogon zizanioides Roots. Pharmaceuticals (Basel). 2022 Aug 5;15(8):967. doi: 10.3390/ph15080967. [PubMed:36015115 ]
Zhang J, Ou A, Tang X, Wang R, Fan Y, Fang Y, Zhao Y, Zhao P, Chen D, Wang B, Huang Y: "Two-birds-one-stone" colon-targeted nanomedicine treats ulcerative colitis via remodeling immune microenvironment and anti-fibrosis. J Nanobiotechnology. 2022 Aug 30;20(1):389. doi: 10.1186/s12951-022-01598-0. [PubMed:36042499 ]
Du Y, Shi J, Duan R, Tsim KWK, Shen L, Zhang N, Wang B: cRGD peptide incorporated with patchouli alcohol loaded silk fibroin nanoparticles for enhanced targeting of inflammatory sites in colitis. Biomater Adv. 2022 Sep;140:213069. doi: 10.1016/j.bioadv.2022.213069. Epub 2022 Aug 6. [PubMed:35961188 ]
Fan H, Zhang L, Li Y, Soo Khoo C, Han D, Liu Q, Li P, Zhang X: Antioxidant and Immunomodulatory Activities of Essential Oil Isolated from Anti-Upper Respiratory Tract Infection Formulation and Their Chemical Analysis. Evid Based Complement Alternat Med. 2022 Jul 31;2022:7297499. doi: 10.1155/2022/7297499. eCollection 2022. [PubMed:35958917 ]
Chen M, Wen H, Zhou S, Yan X, Li H: Patchouli Alcohol Inhibits D-Gal Induced Oxidative Stress and Ameliorates the Quality of Aging Cartilage via Activating the Nrf2/HO-1 Pathway in Mice. Oxid Med Cell Longev. 2022 Jun 8;2022:6821170. doi: 10.1155/2022/6821170. eCollection 2022. [PubMed:35720186 ]
LOTUS database [Link]

Showing NP-Card for patchoulol (NP0144015)

MOL for NP0144015 (patchoulol)

3D MOL for NP0144015 (patchoulol)

3D SDF for NP0144015 (patchoulol)

3D-SDF for NP0144015 (patchoulol)

PDB for NP0144015 (patchoulol)

3D PDB for NP0144015 (patchoulol)

SMILES for NP0144015 (patchoulol)

INCHI for NP0144015 (patchoulol)

Structure for NP0144015 (patchoulol)

3D Structure for NP0144015 (patchoulol)