NP-MRD: Showing NP-Card for 7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-8-yl (2z)-2-methylbut-2-enoate (NP0234477)

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Record Information

Version

2.0

Created at

2022-09-06 16:32:06 UTC

Updated at

2022-09-06 16:32:07 UTC

NP-MRD ID

NP0234477

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-8-yl (2z)-2-methylbut-2-enoate

Description

Subacaulin belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. 7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-8-yl (2z)-2-methylbut-2-enoate is found in Blainvillea acmella. Based on a literature review very few articles have been published on Subacaulin.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062218322D          

 26 29  0  0  0  0            999 V2000
    6.5532   -1.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7593   -1.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4741   -0.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9328    0.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6497   -0.3638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4254   -1.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1111   -1.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1801   -2.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9507   -2.7331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5803   -3.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8304   -3.7912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6363   -3.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1921   -3.3579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8865   -4.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3307   -5.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6924   -4.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -4.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634   -2.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3048   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3446   -2.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207   -2.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3061   -1.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2618   -0.5161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9974   -0.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4457   -0.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392   -1.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 20 26  1  0  0  0  0
  6 26  1  0  0  0  0
M  END

     RDKit          3D

 50 53  0  0  0  0  0  0  0  0999 V2000
   -1.2973   -4.0951   -0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5560   -2.8964    0.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5213   -2.4770    1.4051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0600   -3.2370    2.2718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7400   -1.0908    1.2676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -0.8060   -0.0250 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2304    0.5940   -0.4274 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2748    1.5084    0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1107    1.2764    0.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5922    2.5354    1.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6311    0.0746    0.9670 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6168   -0.0487   -0.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646    0.0201    0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3976    0.2052    1.2983 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -0.1163   -0.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3487   -0.3326   -2.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1989   -0.0538   -0.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7762    0.1598    0.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0451   -1.2248    1.0676 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8807   -2.2666    1.1543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9781   -1.5790   -0.0561 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8722    2.8946   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3350    2.6334   -0.0344 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7869    1.8745    1.0522 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5918    1.1991   -0.1395 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7981    0.6704   -0.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5675   -4.2615   -0.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8116   -4.9397    0.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9628   -1.3477   -0.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1649    0.6109   -1.5616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    2.8397    2.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6675    2.3858    1.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4115    3.2932    0.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2568    0.2294    1.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0368   -1.0587   -2.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107   -0.7350   -2.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4010    0.5948   -2.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8275   -0.1633   -1.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5146    1.1325    0.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5495   -0.7005    1.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8898    0.1548    0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6368   -1.2611    2.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2766   -2.3613    0.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4981   -1.6303   -1.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6110    3.5232    0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4867    3.2937   -0.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0487    3.3142   -0.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3784    1.5423   -1.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5270    0.0150   -1.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4780    0.1075   -0.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 17  1  0
 17 15  2  0
 15 16  1  0
 15 13  1  0
 13 14  2  0
 13 12  1  0
 12 11  1  0
 11 19  1  0
 19 20  1  0
 19 21  1  0
 21  6  1  0
  6  5  1  0
  5  3  1  0
  3  4  2  0
  3  2  1  0
  2  1  2  3
  6  7  1  0
  7  8  1  0
  8 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  6
  8  9  2  0
  9 10  1  0
  9 11  1  0
  2 21  1  0
 25  7  1  0
 25 23  1  0
 18 39  1  0
 18 40  1  0
 18 41  1  0
 17 38  1  0
 16 35  1  0
 16 36  1  0
 16 37  1  0
 11 34  1  1
 19 42  1  1
 20 43  1  0
 21 44  1  6
  6 29  1  6
  1 27  1  0
  1 28  1  0
  7 30  1  6
 22 45  1  0
 22 46  1  0
 23 47  1  6
 26 48  1  0
 26 49  1  0
 26 50  1  0
 10 31  1  0
 10 32  1  0
 10 33  1  0
M  END


  Mrv1652309062218322D          

 26 29  0  0  0  0            999 V2000
    6.5532   -1.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7593   -1.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4741   -0.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9328    0.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6497   -0.3638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4254   -1.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1111   -1.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1801   -2.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9507   -2.7331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5803   -3.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8304   -3.7912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6363   -3.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1921   -3.3579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8865   -4.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3307   -5.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6924   -4.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -4.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634   -2.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3048   -3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3446   -2.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207   -2.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3061   -1.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2618   -0.5161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9974   -0.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4457   -0.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392   -1.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 20 26  1  0  0  0  0
  6 26  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0234477

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C(\C)C(=O)OC1C(O)C2C(OC(=O)C2=C)C2C(CC3OC23C)=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C20H24O6/c1-6-8(2)18(22)24-16-9(3)11-7-12-20(5,26-12)14(11)17-13(15(16)21)10(4)19(23)25-17/h6,12-17,21H,4,7H2,1-3,5H3/b8-6-

> <INCHI_KEY>
ISXKHMGADCEXKD-VURMDHGXSA-N

> <FORMULA>
C20H24O6

> <MOLECULAR_WEIGHT>
360.406

> <EXACT_MASS>
360.157288493

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
37.23342539100744

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0^{2,6}.0^{12,14}]tetradec-9-en-8-yl (2Z)-2-methylbut-2-enoate

> <JCHEM_LOGP>
2.005284558333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.686971370470978

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3731187225559927

> <JCHEM_POLAR_SURFACE_AREA>
85.36000000000001

> <JCHEM_REFRACTIVITY>
93.1195

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0^{2,6}.0^{12,14}]tetradec-9-en-8-yl (2Z)-2-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₄O₆

Average Mass

360.4060 Da

Monoisotopic Mass

360.15729 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C\C=C(\C)C(=O)OC1C(O)C2C(OC(=O)C2=C)C2C(CC3OC23C)=C1C

InChI Identifier

InChI=1S/C20H24O6/c1-6-8(2)18(22)24-16-9(3)11-7-12-20(5,26-12)14(11)17-13(15(16)21)10(4)19(23)25-17/h6,12-17,21H,4,7H2,1-3,5H3/b8-6-

InChI Key

ISXKHMGADCEXKD-VURMDHGXSA-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
Blainvillea acmella	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Germacranolides and derivatives

Alternative Parents

Substituents

Germacranolide
Sesquiterpenoid
Fatty acid ester
Dicarboxylic acid or derivatives
Gamma butyrolactone
Fatty acyl
Oxane
Oxolane
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Lactone
Carboxylic acid ester
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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

C00020588

Chemspider ID

32746402

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

54601857

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-8-yl (2z)-2-methylbut-2-enoate (NP0234477)

MOL for NP0234477 (7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-8-yl (2z)-2-methylbut-2-enoate)

3D MOL for NP0234477 (7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-8-yl (2z)-2-methylbut-2-enoate)

3D SDF for NP0234477 (7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-8-yl (2z)-2-methylbut-2-enoate)

3D-SDF for NP0234477 (7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-8-yl (2z)-2-methylbut-2-enoate)

PDB for NP0234477 (7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-8-yl (2z)-2-methylbut-2-enoate)

3D PDB for NP0234477 (7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-8-yl (2z)-2-methylbut-2-enoate)

SMILES for NP0234477 (7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-8-yl (2z)-2-methylbut-2-enoate)

INCHI for NP0234477 (7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-8-yl (2z)-2-methylbut-2-enoate)

Structure for NP0234477 (7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-8-yl (2z)-2-methylbut-2-enoate)

3D Structure for NP0234477 (7-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-9-en-8-yl (2z)-2-methylbut-2-enoate)