Showing NP-Card for Schwarzinicine A (NP0352910)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-02-16 03:01:23 UTC | |||||||||||||||
| Updated at | 2026-02-16 04:01:49 UTC | |||||||||||||||
| NP-MRD ID | NP0352910 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/7209 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Schwarzinicine A | |||||||||||||||
| Description | Schwarzinicine A was first documented in 2020 (PMID: 31935094). | |||||||||||||||
| Structure |  MOL for NP0352910 (Schwarzinicine A)
Mrv2104 03172300142D
37 39 0 0 0 0 999 V2000
1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 2.0625 0.0000 O 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 0.8250 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
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 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -3.7125 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
1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 2.0625 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 1 0 0 0 0
8 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 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
15 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 2 0 0 0 0
13 22 1 0 0 0 0
10 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
27 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
30 33 2 0 0 0 0
24 33 1 0 0 0 0
6 34 1 0 0 0 0
34 35 2 0 0 0 0
3 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
M END
3D SDF for NP0352910 (Schwarzinicine A)
Mrv2104 03172300142D
37 39 0 0 0 0 999 V2000
1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 2.0625 0.0000 O 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 0.8250 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
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 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -3.7125 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
1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 2.0625 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 1 0 0 0 0
8 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 2 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
15 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
18 21 1 0 0 0 0
21 22 2 0 0 0 0
13 22 1 0 0 0 0
10 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
27 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
30 33 2 0 0 0 0
24 33 1 0 0 0 0
6 34 1 0 0 0 0
34 35 2 0 0 0 0
3 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
M END
> <DATABASE_ID>
NP0352910
> <DATABASE_NAME>
NP-MRD
> <SMILES>
COC1=CC=C(CCNC(CCC2=CC(OC)=C(OC)C=C2)CC2=CC=C(OC)C(OC)=C2)C=C1OC
> <INCHI_IDENTIFIER>
InChI=1/C30H39NO6/c1-32-25-12-8-21(18-28(25)35-4)7-11-24(17-23-10-14-27(34-3)30(20-23)37-6)31-16-15-22-9-13-26(33-2)29(19-22)36-5/h8-10,12-14,18-20,24,31H,7,11,15-17H2,1-6H3
> <INCHI_KEY>
DVTXGCNDTXJJFM-UHFFFAOYNA-N
> <FORMULA>
C30H39NO6
> <MOLECULAR_WEIGHT>
509.643
> <EXACT_MASS>
509.27773798
$$$$
PDB for NP0352910 (Schwarzinicine A)HEADER PROTEIN 17-MAR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 17-MAR-23 0 HETATM 1 C UNK 0 2.667 4.620 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 4.001 3.850 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 4.001 2.310 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 5.335 1.540 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 5.335 0.000 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 5.335 -3.080 0.000 0.00 0.00 C+0 HETATM 9 N UNK 0 5.335 -4.620 0.000 0.00 0.00 N+0 HETATM 10 C UNK 0 6.668 -5.390 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 8.002 -4.620 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 8.002 -3.080 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 9.336 -2.310 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 9.336 -0.770 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 10.669 0.000 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 10.669 1.540 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 12.003 2.310 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 12.003 -0.770 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 13.337 0.000 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 13.337 1.540 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 12.003 -2.310 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 10.669 -3.080 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 6.668 -6.930 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 5.335 -7.700 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 5.335 -9.240 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 4.001 -10.010 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 2.667 -9.240 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 1.334 -10.010 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 0.000 -9.240 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 2.667 -7.700 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 1.334 -6.930 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 4.001 -6.930 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 2.667 1.540 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 1.334 2.310 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 1.334 3.850 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 35 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 7 34 CONECT 7 6 8 CONECT 8 7 9 CONECT 9 8 10 CONECT 10 9 11 23 CONECT 11 10 12 CONECT 12 11 13 CONECT 13 12 14 22 CONECT 14 13 15 CONECT 15 14 16 18 CONECT 16 15 17 CONECT 17 16 CONECT 18 15 19 21 CONECT 19 18 20 CONECT 20 19 CONECT 21 18 22 CONECT 22 21 13 CONECT 23 10 24 CONECT 24 23 25 33 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 28 30 CONECT 28 27 29 CONECT 29 28 CONECT 30 27 31 33 CONECT 31 30 32 CONECT 32 31 CONECT 33 30 24 CONECT 34 6 35 CONECT 35 34 3 36 CONECT 36 35 37 CONECT 37 36 MASTER 0 0 0 0 0 0 0 0 37 0 78 0 END SMILES for NP0352910 (Schwarzinicine A)COC1=CC=C(CCNC(CCC2=CC(OC)=C(OC)C=C2)CC2=CC=C(OC)C(OC)=C2)C=C1OC INCHI for NP0352910 (Schwarzinicine A)InChI=1/C30H39NO6/c1-32-25-12-8-21(18-28(25)35-4)7-11-24(17-23-10-14-27(34-3)30(20-23)37-6)31-16-15-22-9-13-26(33-2)29(19-22)36-5/h8-10,12-14,18-20,24,31H,7,11,15-17H2,1-6H3 3D Structure for NP0352910 (Schwarzinicine A) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C30H39NO6 | |||||||||||||||
| Average Mass | 509.6430 Da | |||||||||||||||
| Monoisotopic Mass | 509.27774 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | COC1=CC=C(CCNC(CCC2=CC(OC)=C(OC)C=C2)CC2=CC=C(OC)C(OC)=C2)C=C1OC | |||||||||||||||
| InChI Identifier | InChI=1/C30H39NO6/c1-32-25-12-8-21(18-28(25)35-4)7-11-24(17-23-10-14-27(34-3)30(20-23)37-6)31-16-15-22-9-13-26(33-2)29(19-22)36-5/h8-10,12-14,18-20,24,31H,7,11,15-17H2,1-6H3 | |||||||||||||||
| InChI Key | DVTXGCNDTXJJFM-UHFFFAOYNA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
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| Predicted Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||
| Not Available | ||||||||||||||||
| Species | ||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||
| Classification | Not classified | |||||||||||||||
| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||
| External Links | Not Available | |||||||||||||||
| References | ||||||||||||||||
| General References | ||||||||||||||||
