NP-MRD: Showing NP-Card for (1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol (NP0244777)

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Record Information

Version

2.0

Created at

2022-09-07 05:39:00 UTC

Updated at

2022-09-07 05:39:01 UTC

NP-MRD ID

NP0244777

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol

Description

AC1L4W2E belongs to the class of organic compounds known as lycorine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids compounds containing the lycorine skeleton, made up of a pyrrolo[d,e]phenanthridine ring system. (1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol is found in Cyrtanthus elatus. Based on a literature review very few articles have been published on AC1L4W2E.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 40 44  0  0  0  0  0  0  0  0999 V2000
   -0.5004    1.6185    1.4457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322    1.8688    0.0785 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2489    0.6059   -0.6641 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1029    0.1027   -0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1556    0.9747   -0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707    0.6030   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6779   -0.7018    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6317   -1.5875    0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3372   -1.1977    0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621   -2.2222    0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9287   -1.7729   -0.5794 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1101   -2.4974   -0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2369   -1.4712   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103   -0.2177   -0.5272 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0191    1.0445    0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780    2.1510   -0.2080 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4898    3.3326    0.4230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1824   -0.4542   -0.1402 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0259   -0.8889    0.4840 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6447    0.3807    0.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6814    1.2492   -0.1335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3213    1.8884    1.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0488    2.7345   -0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3758    0.7327   -1.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0435    2.0262   -0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8373   -2.6143    0.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5940   -3.2153   -0.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0394   -2.2246    1.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4174   -3.1196   -1.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9891   -3.1295    0.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3994   -1.3762    1.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1493   -1.7681   -0.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7187   -0.0984   -1.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0354    0.8512    1.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0206    1.3221   -0.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931    2.3104   -1.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0444    4.0883   -0.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1182   -0.4281    0.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8709    0.7594    1.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5720    0.3406   -0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  8  2  0
  8  7  1  0
  7  6  2  0
  6 21  1  0
 21 20  1  0
 20 19  1  0
  6  5  1  0
  5  4  2  0
  4  3  1  0
  3 18  1  0
  3  2  1  0
  2  1  1  0
  2 16  1  0
 18 14  1  0
 18 11  1  0
  4  9  1  0
 19  7  1  0
 17 37  1  0
 16 36  1  6
 15 34  1  0
 15 35  1  0
 14 33  1  6
 13 31  1  0
 13 32  1  0
 12 29  1  0
 12 30  1  0
 10 27  1  0
 10 28  1  0
  8 26  1  0
 20 39  1  0
 20 40  1  0
  5 25  1  0
  3 24  1  6
 18 38  1  1
  2 23  1  6
  1 22  1  0
M  END


  Mrv1652309072207392D          

 21 25  0  0  1  0            999 V2000
    2.1902    2.7360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5771    2.1840    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7486    1.3770    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1794    1.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925    2.4389    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6209    3.2459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2629    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780    1.0799    0.0000 O   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  1  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  9 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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  1  0  0  0
 14 18  1  0  0  0  0
  3 18  1  0  0  0  0
 11 18  1  0  0  0  0
  7 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0244777

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H]1CC2CCN3CC4=CC5=C(OCO5)C=C4[C@@H](C23)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C16H19NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8?,11-,14+,15?,16-/m1/s1

> <INCHI_KEY>
VJILFEGOWCJNIK-QQCODEPSSA-N

> <FORMULA>
C16H19NO4

> <MOLECULAR_WEIGHT>
289.331

> <EXACT_MASS>
289.131408096

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
30.98137563714576

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,17R,18S)-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{15,19}]nonadeca-2,4(8),9-triene-17,18-diol

> <JCHEM_LOGP>
0.3340521016666663

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
15.164010882556283

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.645906621563238

> <JCHEM_PKA_STRONGEST_BASIC>
8.906701228470586

> <JCHEM_POLAR_SURFACE_AREA>
62.16000000000001

> <JCHEM_REFRACTIVITY>
75.56260000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,17R,18S)-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{15,19}]nonadeca-2,4(8),9-triene-17,18-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  O   UNK     0       4.088   5.107   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.944   4.077   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.264   2.570   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.787   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.121   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.454   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.454   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.121  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.787   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.453  -0.770   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       2.120   0.000   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       0.655  -0.476   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.250   0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.655   2.016   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.335   3.522   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.479   4.553   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       1.159   6.059   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.120   1.540   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.919  -0.476   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       9.824   0.770   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       8.919   2.016   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   16                                                  
CONECT    3    2    4   18                                                  
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   21                                                  
CONECT    7    6    8   19                                                  
CONECT    8    7    9                                                       
CONECT    9    8    4   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   18                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   18                                                  
CONECT   15   14   16                                                       
CONECT   16   15    2   17                                                  
CONECT   17   16                                                            
CONECT   18   14    3   11                                                  
CONECT   19    7   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20    6                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₁₉NO₄

Average Mass

289.3310 Da

Monoisotopic Mass

289.13141 Da

IUPAC Name

(1S,17R,18S)-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{15,19}]nonadeca-2,4(8),9-triene-17,18-diol

Traditional Name

(1S,17R,18S)-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{15,19}]nonadeca-2,4(8),9-triene-17,18-diol

CAS Registry Number

Not Available

SMILES

O[C@@H]1CC2CCN3CC4=CC5=C(OCO5)C=C4[C@@H](C23)[C@@H]1O

InChI Identifier

InChI=1S/C16H19NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8?,11-,14+,15?,16-/m1/s1

InChI Key

VJILFEGOWCJNIK-QQCODEPSSA-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
Cyrtanthus elatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lycorine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids compounds containing the lycorine skeleton, made up of a pyrrolo[d,e]phenanthridine ring system.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Amaryllidaceae alkaloids

Sub Class

Lycorine-type amaryllidaceae alkaloids

Direct Parent

Lycorine-type amaryllidaceae alkaloids

Alternative Parents

Substituents

Lycorine skeleton
Phenanthridine
Benzoquinoline
Tetrahydroisoquinoline
Quinoline
Indole or derivatives
Benzodioxole
Aralkylamine
Benzenoid
N-alkylpyrrolidine
Pyrrolidine
Cyclic alcohol
Tertiary aliphatic amine
Tertiary amine
Secondary alcohol
1,2-diol
Oxacycle
Azacycle
Organoheterocyclic compound
Acetal
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
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	0.33	ChemAxon
pKa (Strongest Acidic)	13.65	ChemAxon
pKa (Strongest Basic)	8.91	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	62.16 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	75.56 m³·mol⁻¹	ChemAxon
Polarizability	30.98 Å³	ChemAxon
Number of Rings	5	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

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

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Wikipedia Link

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METLIN ID

Not Available

PubChem Compound

118701134

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for (1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol (NP0244777)

MOL for NP0244777 ((1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol)

3D MOL for NP0244777 ((1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol)

3D SDF for NP0244777 ((1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol)

3D-SDF for NP0244777 ((1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol)

PDB for NP0244777 ((1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol)

3D PDB for NP0244777 ((1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol)

SMILES for NP0244777 ((1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol)

INCHI for NP0244777 ((1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol)

Structure for NP0244777 ((1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol)

3D Structure for NP0244777 ((1s,17r,18s)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-triene-17,18-diol)