NP-MRD: Showing NP-Card for rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol (NP0044622)

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Record Information

Version

2.0

Created at

2022-02-24 21:09:29 UTC

Updated at

2026-02-14 20:01:44 UTC

NP-MRD ID

NP0044622

Natural Product DOI

https://doi.org/10.57994/6917

Secondary Accession Numbers

None

Natural Product Identification

Common Name

rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol

Description

rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol was first documented in 2020 (PMID: 33264011).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 43  0  0  0  0  0  0  0  0999 V2000
   -1.0665    3.8464    0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4394    2.4186    0.3479 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9839    2.4881    0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9235    1.6225   -0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9609    0.1402   -0.1616 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4349   -0.3365    0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6391   -0.4722   -1.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2355   -0.4834    0.9933 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1122   -0.5372    2.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6479   -1.8460    0.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8372   -1.9062    1.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6928   -1.7492   -0.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8640   -2.9709   -1.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4663   -3.9331   -0.2308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2808   -0.6477   -0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2406    0.6582    0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3139    1.6204   -0.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3659    4.5788    0.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2510    4.1191   -0.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0102    3.8714    0.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966    2.1249    1.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452    3.5574   -0.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9653    2.0123   -0.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4788   -1.4016   -0.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6644   -0.0502    1.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0153    0.3062   -0.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3389   -1.2535   -1.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7905    0.3648   -2.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6146   -0.7999   -1.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3955    0.1321    1.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7676   -1.1393    2.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1304   -2.5489    1.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8959   -2.2607   -0.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0940   -2.8906    1.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0545   -1.1468    1.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8794   -3.3326   -1.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4775   -2.7571   -1.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4400   -3.8240   -0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8838   -0.6344   -1.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9210    0.6035    1.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2946    1.0709    0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7468    1.1083   -1.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0238    2.2779   -1.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2 17  1  0
 17 16  1  0
 16 15  1  0
 15 12  2  0
 12 13  1  0
 13 14  1  0
 12 11  1  0
 11 10  1  0
 10  8  1  0
  8  9  1  0
  8  5  1  0
  5  6  1  1
  5  7  1  0
  5  4  1  0
  4  3  2  0
  3  2  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  1
 17 42  1  0
 17 43  1  0
 16 40  1  0
 16 41  1  0
 15 39  1  0
 13 36  1  0
 13 37  1  0
 14 38  1  0
 11 34  1  0
 11 35  1  0
 10 32  1  0
 10 33  1  0
  8 30  1  1
  9 31  1  0
  6 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  7 28  1  0
  7 29  1  0
  4 23  1  0
  3 22  1  0
M  END


  Mrv1652302242222092D          

 17 17  0  0  1  0            999 V2000
    3.5920    0.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8498   -0.2248    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7909   -1.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0488   -1.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2799   -0.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4628   -1.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0743   -1.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -2.4766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1024   -0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6968    0.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8003    1.1626    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1273    1.6398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5424    1.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0586    2.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1165    2.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2256    1.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.2377    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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 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
 16 17  2  0  0  0  0
  2 17  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0044622

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1CC\C=C(CO)\CC[C@@H](O)C(C)(C)\C=C\1

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O2/c1-12-5-4-6-13(11-16)7-8-14(17)15(2,3)10-9-12/h6,9-10,12,14,16-17H,4-5,7-8,11H2,1-3H3/b10-9+,13-6-/t12-,14+/m0/s1

> <INCHI_KEY>
DFRLFZUOMAKBMU-GOBQXNSQSA-N

> <FORMULA>
C15H26O2

> <MOLECULAR_WEIGHT>
238.371

> <EXACT_MASS>
238.193280077

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
28.314374173483863

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol

> <ALOGPS_LOGP>
3.21

> <JCHEM_LOGP>
2.7722763623333324

> <ALOGPS_LOGS>
-3.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.658217234328436

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.884750727975312

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7354907924956012

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
73.9887

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.38e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-22         0                                  
HETATM    1  C   UNK     0       6.705   0.253   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.320  -0.420   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.210  -1.956   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.824  -2.628   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.389  -1.745   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.864  -1.957   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.139  -3.316   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.953  -4.623   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.191  -0.572   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.301   0.496   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.494   2.170   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.238   3.061   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.879   2.843   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.976   4.090   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.951   3.949   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.154   1.980   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.044   0.444   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   17                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15   16                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   13   17                                                       
CONECT   17   16    2                                                       
MASTER        0    0    0    0    0    0    0    0   17    0   34    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₆O₂

Average Mass

238.3710 Da

Monoisotopic Mass

238.19328 Da

IUPAC Name

(1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol

Traditional Name

(1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol

CAS Registry Number

Not Available

SMILES

C[C@H]1CC\C=C(CO)\CC[C@@H](O)C(C)(C)\C=C\1

InChI Identifier

InChI=1S/C15H26O2/c1-12-5-4-6-13(11-16)7-8-14(17)15(2,3)10-9-12/h6,9-10,12,14,16-17H,4-5,7-8,11H2,1-3H3/b10-9+,13-6-/t12-,14+/m0/s1

InChI Key

DFRLFZUOMAKBMU-GOBQXNSQSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Chloroform-d, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 400.0, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-14	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100.6, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-14	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Conocephalum conicum		Not Available
Conocephalum conicum	Linington's dataset npmrd_submissions_20220207	33264011

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	3.21	ALOGPS
logP	2.77	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	16.88	ChemAxon
pKa (Strongest Basic)	-0.74	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	40.46 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	73.99 m³·mol⁻¹	ChemAxon
Polarizability	28.31 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

Radulovic NS, Filipovic SI, Nesic MS, Stojanovic NM, Mitic KV, Mladenovic MZ, Randelovic VN: Immunomodulatory Constituents of Conocephalum conicum (Snake Liverwort) and the Relationship of Isolepidozenes to Germacranes and Humulanes. J Nat Prod. 2020 Dec 24;83(12):3554-3563. doi: 10.1021/acs.jnatprod.0c00585. Epub 2020 Dec 2. [PubMed:33264011 ]
DOI: 10.1021/acs.jnatprod.0c00585
PMID: 33264011

Showing NP-Card for rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol (NP0044622)

MOL for NP0044622 (rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol)

3D MOL for NP0044622 (rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol)

3D SDF for NP0044622 (rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol)

3D-SDF for NP0044622 (rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol)

PDB for NP0044622 (rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol)

3D PDB for NP0044622 (rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol)

SMILES for NP0044622 (rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol)

INCHI for NP0044622 (rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol)

Structure for NP0044622 (rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol)

3D Structure for NP0044622 (rel-(1(10)Z,4S,5E,7R)-humula-1(10),5-diene-7,14-diol)