Showing NP-Card for Notoscarin G (NP0353548)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-02-23 19:49:57 UTC | |||||||||||||||
| Updated at | 2026-02-23 20:08:33 UTC | |||||||||||||||
| NP-MRD ID | NP0353548 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/8085 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Notoscarin G | |||||||||||||||
| Description | Notoscarin G was first documented in 2021 (PMID: 34662124). | |||||||||||||||
| Structure |  MOL for NP0353548 (Notoscarin G)
Mrv2104 03242317022D
26 29 0 0 1 0 999 V2000
2.8608 -0.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1659 -1.1426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4709 -1.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9107 -1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7008 -0.3836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5662 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2495 -1.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6190 -0.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4330 -0.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9565 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0317 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0693 0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6256 1.2647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5880 2.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3581 0.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3957 0.0611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4333 -0.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1283 -0.3184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0906 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8232 0.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5557 -0.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5933 -1.0774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3984 -0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8984 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9105 -1.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7287 -1.9451 0.0000 C 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 0 0 0 0
5 4 1 0 0 0 0
5 6 1 1 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
8 11 1 0 0 0 0
5 11 1 0 0 0 0
11 12 2 0 0 0 0
13 12 1 0 0 0 0
13 14 1 1 0 0 0
13 15 1 0 0 0 0
16 15 1 0 0 0 0
16 5 1 0 0 0 0
16 17 1 1 0 0 0
16 18 1 0 0 0 0
18 2 1 0 0 0 0
18 19 1 6 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
22 21 1 0 0 0 0
22 23 1 1 0 0 0
22 24 1 0 0 0 0
2 24 1 0 0 0 0
22 25 1 6 0 0 0
25 26 2 0 0 0 0
M END
3D SDF for NP0353548 (Notoscarin G)
Mrv2104 03242317022D
26 29 0 0 1 0 999 V2000
2.8608 -0.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1659 -1.1426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4709 -1.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9107 -1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7008 -0.3836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5662 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2495 -1.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6190 -0.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4330 -0.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9565 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0317 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0693 0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6256 1.2647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5880 2.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3581 0.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3957 0.0611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4333 -0.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1283 -0.3184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0906 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8232 0.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5557 -0.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5933 -1.0774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3984 -0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8984 -1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9105 -1.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7287 -1.9451 0.0000 C 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 0 0 0 0
5 4 1 0 0 0 0
5 6 1 1 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
8 11 1 0 0 0 0
5 11 1 0 0 0 0
11 12 2 0 0 0 0
13 12 1 0 0 0 0
13 14 1 1 0 0 0
13 15 1 0 0 0 0
16 15 1 0 0 0 0
16 5 1 0 0 0 0
16 17 1 1 0 0 0
16 18 1 0 0 0 0
18 2 1 0 0 0 0
18 19 1 6 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
22 21 1 0 0 0 0
22 23 1 1 0 0 0
22 24 1 0 0 0 0
2 24 1 0 0 0 0
22 25 1 6 0 0 0
25 26 2 0 0 0 0
M END
> <DATABASE_ID>
NP0353548
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H][C@@]12CC[C@]34COC(OC)C3=C[C@@H](O)C[C@]4([H])[C@@]1(C)CC[C@@](C)(C2)C=C
> <INCHI_IDENTIFIER>
InChI=1S/C21H32O3/c1-5-19(2)8-9-20(3)14(12-19)6-7-21-13-24-18(23-4)16(21)10-15(22)11-17(20)21/h5,10,14-15,17-18,22H,1,6-9,11-13H2,2-4H3/t14-,15+,17+,18?,19-,20-,21-/m0/s1
> <INCHI_KEY>
VMTSJVFJNZNDCO-LRKCATBFSA-N
> <FORMULA>
C21H32O3
> <MOLECULAR_WEIGHT>
332.484
> <EXACT_MASS>
332.23514489
$$$$
PDB for NP0353548 (Notoscarin G)HEADER PROTEIN 24-MAR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-MAR-23 0 HETATM 1 H UNK 0 5.340 -1.303 0.000 0.00 0.00 H+0 HETATM 2 C UNK 0 4.043 -2.133 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 2.746 -2.963 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 1.700 -2.548 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 1.308 -0.716 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 1.057 -2.235 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 -0.466 -2.466 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 -1.156 -1.089 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 -2.675 -0.838 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 -3.652 -2.028 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.059 -0.008 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.129 1.531 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 1.168 2.361 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 1.098 3.899 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 2.535 1.652 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 2.605 0.114 0.000 0.00 0.00 C+0 HETATM 17 H UNK 0 2.676 -1.424 0.000 0.00 0.00 H+0 HETATM 18 C UNK 0 3.973 -0.594 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 3.903 0.944 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 5.270 0.236 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 6.637 -0.473 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 6.708 -2.011 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 8.210 -1.675 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 5.410 -2.841 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 7.300 -3.433 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 8.827 -3.631 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 18 24 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 11 16 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 9 11 CONECT 9 8 10 CONECT 10 9 CONECT 11 8 5 12 CONECT 12 11 13 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 CONECT 16 15 5 17 18 CONECT 17 16 CONECT 18 16 2 19 20 CONECT 19 18 CONECT 20 18 21 CONECT 21 20 22 CONECT 22 21 23 24 25 CONECT 23 22 CONECT 24 22 2 CONECT 25 22 26 CONECT 26 25 MASTER 0 0 0 0 0 0 0 0 26 0 58 0 END SMILES for NP0353548 (Notoscarin G)[H][C@@]12CC[C@]34COC(OC)C3=C[C@@H](O)C[C@]4([H])[C@@]1(C)CC[C@@](C)(C2)C=C INCHI for NP0353548 (Notoscarin G)InChI=1S/C21H32O3/c1-5-19(2)8-9-20(3)14(12-19)6-7-21-13-24-18(23-4)16(21)10-15(22)11-17(20)21/h5,10,14-15,17-18,22H,1,6-9,11-13H2,2-4H3/t14-,15+,17+,18?,19-,20-,21-/m0/s1 3D Structure for NP0353548 (Notoscarin G) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C21H32O3 | |||||||||||||||
| Average Mass | 332.4840 Da | |||||||||||||||
| Monoisotopic Mass | 332.23514 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | [H][C@@]12CC[C@]34COC(OC)C3=C[C@@H](O)C[C@]4([H])[C@@]1(C)CC[C@@](C)(C2)C=C | |||||||||||||||
| InChI Identifier | InChI=1S/C21H32O3/c1-5-19(2)8-9-20(3)14(12-19)6-7-21-13-24-18(23-4)16(21)10-15(22)11-17(20)21/h5,10,14-15,17-18,22H,1,6-9,11-13H2,2-4H3/t14-,15+,17+,18?,19-,20-,21-/m0/s1 | |||||||||||||||
| InChI Key | VMTSJVFJNZNDCO-LRKCATBFSA-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 | ||||||||||||||||
