NP-MRD: Showing NP-Card for 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),7,9,11-hexaene (NP0299248)

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Record Information

Version

2.0

Created at

2022-09-10 10:57:57 UTC

Updated at

2022-09-10 10:57:58 UTC

NP-MRD ID

NP0299248

Secondary Accession Numbers

None

Natural Product Identification

Common Name

11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),7,9,11-hexaene

Description

Aaptamine belongs to the class of organic compounds known as naphthyridines. Naphthyridines are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),7,9,11-hexaene is found in Aaptos aaptos. 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),7,9,11-hexaene was first documented in 2015 (PMID: 26699877). Based on a literature review a significant number of articles have been published on Aaptamine (PMID: 35478841) (PMID: 35200628) (PMID: 35007168) (PMID: 34577088) (PMID: 34331335) (PMID: 33908314).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.4752    1.7722    0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9869    0.4531    0.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6219    0.3026    0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7731    1.3867   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5872    1.2746   -0.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0898    0.0101   -0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4562   -0.1704   -0.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8870   -1.4720   -0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329   -2.5490   -0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7349   -2.3632   -0.4645 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2717   -1.1049   -0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0865   -0.9463   -0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9554   -2.0248   -0.0413 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2132   -2.6498    1.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3348    0.9399   -0.6487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7785    2.2471   -0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4768    2.4109   -0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5759    1.8038    0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0414    2.2370    1.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1845    2.4344   -0.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1527    2.4018    0.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9635   -1.6162   -0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4809   -3.5327   -0.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7672   -3.6783    1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8516   -2.0382    2.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3032   -2.7972    1.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3633    0.7810   -0.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4683    3.0781   -0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0628    3.4096   -0.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7 15  1  0
 15 16  1  0
 16 17  2  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 12  3  1  0
 17  5  1  0
 11  6  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  4 21  1  0
 15 27  1  0
 16 28  1  0
 17 29  1  0
  8 22  1  0
  9 23  1  0
 14 24  1  0
 14 25  1  0
 14 26  1  0
M  END


  Mrv1652309102212572D          

 17 19  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  5 17  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0299248

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C3C(NC=C2)=CC=NC3=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,14H,1-2H3

> <INCHI_KEY>
UERYGOYPBXIFQV-UHFFFAOYSA-N

> <FORMULA>
C13H12N2O2

> <MOLECULAR_WEIGHT>
228.251

> <EXACT_MASS>
228.089877634

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
23.781013442840425

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0^{5,13}]trideca-1(12),2,4,7,9(13),10-hexaene

> <JCHEM_LOGP>
1.422903618666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
6.053961629522095

> <JCHEM_POLAR_SURFACE_AREA>
43.38

> <JCHEM_REFRACTIVITY>
66.5022

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0^{5,13}]trideca-1(12),2,4,7,9(13),10-hexaene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.000  -0.000   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       2.667  -4.620   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       6.668  -2.310   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   12                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   17                                                  
CONECT    6    5    7   11                                                  
CONECT    7    6    8   15                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10    6   12                                                  
CONECT   12   11    3   13                                                  
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15    7   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16    5                                                       
MASTER        0    0    0    0    0    0    0    0   17    0   38    0
END

View in JSmol

Synonyms

Value	Source
2-Methoxy-3-oxoaaptamine	MeSH
8,9-Dimethoxy-1H-benzo(de)(1,6)naphthyridine	MeSH

Chemical Formula

C₁₃H₁₂N₂O₂

Average Mass

228.2510 Da

Monoisotopic Mass

228.08988 Da

IUPAC Name

11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0^{5,13}]trideca-1(12),2,4,7,9(13),10-hexaene

Traditional Name

11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0^{5,13}]trideca-1(12),2,4,7,9(13),10-hexaene

CAS Registry Number

Not Available

SMILES

COC1=CC2=C3C(NC=C2)=CC=NC3=C1OC

InChI Identifier

InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,14H,1-2H3

InChI Key

UERYGOYPBXIFQV-UHFFFAOYSA-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
Aaptos aaptos	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthyridines. Naphthyridines are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazanaphthalenes

Sub Class

Naphthyridines

Direct Parent

Naphthyridines

Alternative Parents

Substituents

Quinoline
Naphthyridine
Isoquinoline
Anisole
Alkyl aryl ether
Benzenoid
Pyridine
Heteroaromatic compound
Azacycle
Ether
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
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	1.42	ChemAxon
pKa (Strongest Basic)	6.05	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	43.38 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	66.5 m³·mol⁻¹	ChemAxon
Polarizability	23.78 Å³	ChemAxon
Number of Rings	3	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

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00027266

Chemspider ID

109490

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

122826

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Nguyen TLA, Doan THN, Truong DH, Ai Nhung NT, Quang DT, Khiri D, Taamalli S, Louis F, El Bakali A, Dao DQ: Antioxidant and UV-radiation absorption activity of aaptamine derivatives - potential application for natural organic sunscreens. RSC Adv. 2021 Jun 17;11(35):21433-21446. doi: 10.1039/d1ra04146k. eCollection 2021 Jun 15. [PubMed:35478841 ]
Sumii Y, Kamiya K, Nakamura T, Tanaka K, Kaji T, Mukomura J, Kotoku N, Arai M: Study of the Structure-Activity Relationship of an Anti-Dormant Mycobacterial Substance 3-(Phenethylamino)Demethyl(oxy)aaptamine to Create a Probe Molecule for Detecting Its Target Protein. Mar Drugs. 2022 Jan 24;20(2):98. doi: 10.3390/md20020098. [PubMed:35200628 ]
He QQ, Man YQ, Sun KL, Yang LJ, Wu Y, Du J, Chen WW, Dai JJ, Ni N, Miao S, Gong KK: Aaptamine derivatives with CDK2 inhibitory activities from the South China Sea sponge Aaptos suberitoides. Nat Prod Res. 2022 Dec;36(24):6215-6223. doi: 10.1080/14786419.2021.2024533. Epub 2022 Jan 10. [PubMed:35007168 ]
Luyao H, Luesch H, Uy M: GPCR Pharmacological Profiling of Aaptamine from the Philippine Sponge Stylissa sp. Extends Its Therapeutic Potential for Noncommunicable Diseases. Molecules. 2021 Sep 16;26(18):5618. doi: 10.3390/molecules26185618. [PubMed:34577088 ]
Nadar VM, Manivannan S, Chinnaiyan R, Govarthanan M, Ponnuchamy K: Review on marine sponge alkaloid, aaptamine: A potential antibacterial and anticancer drug. Chem Biol Drug Des. 2022 Jan;99(1):103-110. doi: 10.1111/cbdd.13932. Epub 2021 Aug 22. [PubMed:34331335 ]
Trang DT, Tai BH, Hang DTT, Yen PH, Nhiem NX, Kiem PV: Four new aaptamine alkaloids from marine sponge Aaptos aaptos. Nat Prod Res. 2022 Oct;36(19):5022-5031. doi: 10.1080/14786419.2021.1917572. Epub 2021 Apr 28. [PubMed:33908314 ]
Yang F, Gao Y, Chang YT, Zou Y, Houk KN, Lu JR, He J, Tang WZ, Liao HZ, Han H, Lin HW: Aromatic Ring Substituted Aaptamine Analogues as Potential Cytotoxic Agents against Extranodal Natural Killer/T-Cell Lymphoma. J Nat Prod. 2020 Dec 24;83(12):3758-3763. doi: 10.1021/acs.jnatprod.0c00769. Epub 2020 Nov 10. [PubMed:33170001 ]
Gong K, Miao S, Yang L, Wu Y, Guo J, Chen W, Dai J, Du J, Xi S: Aaptamine attenuates the proliferation and progression of non-small cell lung carcinoma. Pharm Biol. 2020 Dec;58(1):1044-1054. doi: 10.1080/13880209.2020.1822420. [PubMed:33027592 ]
Sumii Y, Kotoku N, Han C, Kamiya K, Setiawan A, Vilcheze C, Jacobs WR Jr, Arai M: 3-(Phenethylamino)demethyl(oxy)aaptamine as an anti-dormant mycobacterial substance: Isolation, evaluation and total synthesis. Tetrahedron Lett. 2020 May 28;61(22):151924. doi: 10.1016/j.tetlet.2020.151924. Epub 2020 Apr 11. [PubMed:32577043 ]
Gao Y, Yang F, Sun F, Liu L, Liu B, Wang SP, Cheng CW, Liao H, Lin HW: Total Synthesis of Aaptamine, Demethyloxyaaptamine, and Their 3-Alkylamino Derivatives. Org Lett. 2019 Mar 1;21(5):1430-1433. doi: 10.1021/acs.orglett.9b00183. Epub 2019 Feb 18. [PubMed:30775923 ]
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LOTUS database [Link]

Showing NP-Card for 11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),7,9,11-hexaene (NP0299248)

MOL for NP0299248 (11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),7,9,11-hexaene)

3D MOL for NP0299248 (11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),7,9,11-hexaene)

3D SDF for NP0299248 (11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),7,9,11-hexaene)

3D-SDF for NP0299248 (11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),7,9,11-hexaene)

PDB for NP0299248 (11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),7,9,11-hexaene)

3D PDB for NP0299248 (11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),7,9,11-hexaene)

SMILES for NP0299248 (11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),7,9,11-hexaene)

INCHI for NP0299248 (11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),7,9,11-hexaene)

Structure for NP0299248 (11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),7,9,11-hexaene)

3D Structure for NP0299248 (11,12-dimethoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1,3,5(13),7,9,11-hexaene)