NP-MRD: Showing NP-Card for 12-[(2r,3s,4r,5s,6s)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one (NP0179336)

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Record Information

Version

2.0

Created at

2022-09-03 17:30:20 UTC

Updated at

2022-09-03 17:30:20 UTC

NP-MRD ID

NP0179336

Secondary Accession Numbers

None

Natural Product Identification

Common Name

12-[(2r,3s,4r,5s,6s)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one

Description

Deacetylravidomycin belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. 12-[(2r,3s,4r,5s,6s)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one is found in Streptomyces ravidus. 12-[(2r,3s,4r,5s,6s)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one was first documented in 1989 (PMID: 2708127). Based on a literature review a small amount of articles have been published on Deacetylravidomycin (PMID: 11560373) (PMID: 11560374).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032219302D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309032219302D          

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    0.7145    2.5952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0957    2.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    0.5684    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
 32 33  1  6  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 32 36  1  0  0  0  0
 26 36  1  0  0  0  0
 36 37  1  1  0  0  0
 25 38  2  0  0  0  0
 20 38  1  0  0  0  0
 14 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0179336

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C(OC(=O)C3=CC(C=C)=CC(OC)=C23)C2=C(C=CC(O)=C12)[C@H]1O[C@@H](C)[C@@H](O)[C@H]([C@@H]1O)N(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C29H31NO8/c1-7-14-10-17-21(19(11-14)35-5)16-12-20(36-6)23-18(31)9-8-15(22(23)27(16)38-29(17)34)28-26(33)24(30(3)4)25(32)13(2)37-28/h7-13,24-26,28,31-33H,1H2,2-6H3/t13-,24+,25+,26-,28+/m0/s1

> <INCHI_KEY>
ZHXCTIMNNKVMJM-KYTBPZSFSA-N

> <FORMULA>
C29H31NO8

> <MOLECULAR_WEIGHT>
521.566

> <EXACT_MASS>
521.204966962

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
55.78082028426368

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
12-[(2R,3S,4R,5S,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-one

> <JCHEM_LOGP>
2.2952073070405445

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.168690178824114

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.286736839755521

> <JCHEM_PKA_STRONGEST_BASIC>
8.901149617378799

> <JCHEM_POLAR_SURFACE_AREA>
117.92000000000002

> <JCHEM_REFRACTIVITY>
141.2843

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
12-[(2R,3S,4R,5S,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      12.424   0.188   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.415   1.352   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.903   1.061   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.399  -0.394   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.887  -0.685   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       7.383  -2.140   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.870  -2.431   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.879   0.479   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.383   1.934   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.895   2.225   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.375   3.098   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       6.879   4.553   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       4.862   2.807   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.358   1.352   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.366   0.188   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.862  -1.267   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.350  -1.558   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.846  -3.013   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       3.854  -4.178   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.342  -0.394   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.830  -0.685   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.326  -2.140   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -0.179   0.479   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.326   1.934   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.838   2.225   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.342   3.680   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       3.854   3.971   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       4.358   5.427   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.870   5.718   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.350   6.591   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       3.854   8.046   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       1.838   6.300   0.000  0.00  0.00           C+0
HETATM   33  N   UNK     0       0.830   7.464   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0      -0.683   7.173   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.334   8.919   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       1.334   4.844   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -0.179   4.553   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       2.846   1.061   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5    9   15                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9    3                                                       
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   38                                                  
CONECT   15   14    8   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   21   38                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   38                                                  
CONECT   26   25   27   36                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   36                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   32   26   37                                                  
CONECT   37   36                                                            
CONECT   38   25   20   14                                                  
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

View in JSmol

Synonyms

Value	Source
Desacetylravidomycin	MeSH

Chemical Formula

C₂₉H₃₁NO₈

Average Mass

521.5660 Da

Monoisotopic Mass

521.20497 Da

IUPAC Name

12-[(2R,3S,4R,5S,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-one

Traditional Name

12-[(2R,3S,4R,5S,6S)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-1(10),2,4,6,11,13,15,17-octaen-8-one

CAS Registry Number

Not Available

SMILES

COC1=CC2=C(OC(=O)C3=CC(C=C)=CC(OC)=C23)C2=C(C=CC(O)=C12)[C@H]1O[C@@H](C)[C@@H](O)[C@H]([C@@H]1O)N(C)C

InChI Identifier

InChI=1S/C29H31NO8/c1-7-14-10-17-21(19(11-14)35-5)16-12-20(36-6)23-18(31)9-8-15(22(23)27(16)38-29(17)34)28-26(33)24(30(3)4)25(32)13(2)37-28/h7-13,24-26,28,31-33H,1H2,2-6H3/t13-,24+,25+,26-,28+/m0/s1

InChI Key

ZHXCTIMNNKVMJM-KYTBPZSFSA-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
Streptomyces ravidus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthopyrans

Sub Class

Not Available

Direct Parent

Naphthopyrans

Alternative Parents

Substituents

Naphthopyran
1-naphthol
Isocoumarin
Coumarin
2-benzopyran
1-benzopyran
Naphthalene
Benzopyran
Styrene
Anisole
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Pyranone
Alkyl aryl ether
Benzenoid
Pyran
Oxane
Heteroaromatic compound
Tertiary aliphatic amine
Tertiary amine
Secondary alcohol
Lactone
1,2-aminoalcohol
Oxacycle
Ether
Dialkyl ether
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Amine
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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
logP	2.3	ChemAxon
pKa (Strongest Acidic)	8.29	ChemAxon
pKa (Strongest Basic)	8.9	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	117.92 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	141.28 m³·mol⁻¹	ChemAxon
Polarizability	55.78 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	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

C00015962

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

133562654

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Arai M, Tomoda H, Matsumoto A, Takahashi Y, Woodruff BH, Ishiguro N, Kobayashi S, Omura S: Deacetylravidomycin M, a new inhibitor of IL-4 signal transduction, produced by Streptomyces sp. WK-6326. I. Taxonomy, fermentation, isolation and biological activities. J Antibiot (Tokyo). 2001 Jul;54(7):554-61. doi: 10.7164/antibiotics.54.554. [PubMed:11560373 ]
Narita T, Matsumoto M, Mogi K, Kukita K, Kawahara R, Nakashima T: Deacetylravidomycin N-oxide, a new antibiotic. Taxonomy and fermentation of the producing organism and isolation, structure and biological properties of the antibiotic. J Antibiot (Tokyo). 1989 Mar;42(3):347-56. doi: 10.7164/antibiotics.42.347. [PubMed:2708127 ]
Arai M, Tomoda H, Tabata N, Ishiguro N, Kobayashi S, Omura S: Deacetylravidomycin M, a new inhibitor of IL-4 signal transduction, produced by Streptomyces sp. WK-6326. II. Structure elucidation. J Antibiot (Tokyo). 2001 Jul;54(7):562-6. doi: 10.7164/antibiotics.54.562. [PubMed:11560374 ]
LOTUS database [Link]

Showing NP-Card for 12-[(2r,3s,4r,5s,6s)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one (NP0179336)

MOL for NP0179336 (12-[(2r,3s,4r,5s,6s)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one)

3D MOL for NP0179336 (12-[(2r,3s,4r,5s,6s)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one)

3D SDF for NP0179336 (12-[(2r,3s,4r,5s,6s)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one)

3D-SDF for NP0179336 (12-[(2r,3s,4r,5s,6s)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one)

PDB for NP0179336 (12-[(2r,3s,4r,5s,6s)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one)

3D PDB for NP0179336 (12-[(2r,3s,4r,5s,6s)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one)

SMILES for NP0179336 (12-[(2r,3s,4r,5s,6s)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one)

INCHI for NP0179336 (12-[(2r,3s,4r,5s,6s)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one)

Structure for NP0179336 (12-[(2r,3s,4r,5s,6s)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one)

3D Structure for NP0179336 (12-[(2r,3s,4r,5s,6s)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]-5-ethenyl-15-hydroxy-3,17-dimethoxy-9-oxatetracyclo[8.8.0.0²,⁷.0¹¹,¹⁶]octadeca-1(10),2(7),3,5,11(16),12,14,17-octaen-8-one)