Showing NP-Card for 5-Epi-nakijiquinone L (NP0352891)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-02-16 00:01:45 UTC | |||||||||||||||
| Updated at | 2026-02-16 04:01:48 UTC | |||||||||||||||
| NP-MRD ID | NP0352891 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/7190 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | 5-Epi-nakijiquinone L | |||||||||||||||
| Description | 5-Epi-nakijiquinone L was first documented in 2020 (PMID: 32040314). | |||||||||||||||
| Structure |  MOL for NP0352891 (5-Epi-nakijiquinone L)
Mrv2104 03162321142D
31 33 0 0 1 0 999 V2000
0.7071 -5.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5316 -5.9732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3561 -6.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7434 -6.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3062 -7.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4817 -7.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0446 -8.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0944 -6.6728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6572 -7.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2699 -6.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1174 -5.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3198 -5.2160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0675 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1443 -5.2448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2018 -4.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8588 -4.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8588 -4.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1443 -3.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4298 -4.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1443 -2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4298 -2.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8588 -2.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5732 -2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2877 -2.3573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0022 -2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7166 -2.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7166 -1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4311 -2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1456 -2.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5732 -3.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2877 -4.0073 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 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
8 6 1 0 0 0 0
2 8 1 0 0 0 0
8 9 1 1 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
12 11 1 0 0 0 0
12 13 1 6 0 0 0
14 12 1 0 0 0 0
2 14 1 0 0 0 0
14 15 1 6 0 0 0
14 16 1 1 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
17 30 1 0 0 0 0
30 31 2 0 0 0 0
M END
3D SDF for NP0352891 (5-Epi-nakijiquinone L)
Mrv2104 03162321142D
31 33 0 0 1 0 999 V2000
0.7071 -5.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5316 -5.9732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3561 -6.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7434 -6.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3062 -7.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4817 -7.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0446 -8.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0944 -6.6728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6572 -7.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2699 -6.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1174 -5.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3198 -5.2160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0675 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1443 -5.2448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2018 -4.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8588 -4.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8588 -4.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1443 -3.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4298 -4.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1443 -2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4298 -2.3573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8588 -2.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5732 -2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2877 -2.3573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0022 -2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7166 -2.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7166 -1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4311 -2.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1456 -2.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5732 -3.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2877 -4.0073 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 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
8 6 1 0 0 0 0
2 8 1 0 0 0 0
8 9 1 1 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
12 11 1 0 0 0 0
12 13 1 6 0 0 0
14 12 1 0 0 0 0
2 14 1 0 0 0 0
14 15 1 6 0 0 0
14 16 1 1 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
17 30 1 0 0 0 0
30 31 2 0 0 0 0
M END
> <DATABASE_ID>
NP0352891
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H][C@@]12CCCC(=C)[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCC(C)CC)C1=O
> <INCHI_IDENTIFIER>
InChI=1S/C26H39NO3/c1-7-16(2)15-27-20-13-21(28)24(30)19(23(20)29)14-26(6)18(4)11-12-25(5)17(3)9-8-10-22(25)26/h13,16,18,22,27,30H,3,7-12,14-15H2,1-2,4-6H3/t16?,18-,22+,25-,26+/m0/s1
> <INCHI_KEY>
OQBIQYAAYLIDNT-DYCGLIDOSA-N
> <FORMULA>
C26H39NO3
> <MOLECULAR_WEIGHT>
413.602
> <EXACT_MASS>
413.29299412
$$$$
PDB for NP0352891 (5-Epi-nakijiquinone L)HEADER PROTEIN 16-MAR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 16-MAR-23 0 HETATM 1 H UNK 0 1.320 -11.096 0.000 0.00 0.00 H+0 HETATM 2 C UNK 0 2.859 -11.150 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 4.398 -11.204 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 5.121 -12.563 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 4.305 -13.869 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 2.766 -13.816 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 1.950 -15.122 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 2.043 -12.456 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 1.227 -13.762 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 0.504 -12.402 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.219 -11.042 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 0.597 -9.736 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.126 -8.377 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 2.136 -9.790 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 2.243 -8.254 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 3.470 -9.020 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 3.470 -7.480 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 2.136 -6.710 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 0.802 -7.480 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 2.136 -5.170 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 0.802 -4.400 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 3.470 -4.400 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 4.803 -5.170 0.000 0.00 0.00 C+0 HETATM 24 N UNK 0 6.137 -4.400 0.000 0.00 0.00 N+0 HETATM 25 C UNK 0 7.471 -5.170 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 8.804 -4.400 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 8.804 -2.860 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 10.138 -5.170 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 11.472 -4.400 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 4.803 -6.710 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 6.137 -7.480 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 8 14 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 2 9 10 CONECT 9 8 CONECT 10 8 11 CONECT 11 10 12 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 2 15 16 CONECT 15 14 CONECT 16 14 17 CONECT 17 16 18 30 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 22 CONECT 21 20 CONECT 22 20 23 CONECT 23 22 24 30 CONECT 24 23 25 CONECT 25 24 26 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 CONECT 29 28 CONECT 30 23 17 31 CONECT 31 30 MASTER 0 0 0 0 0 0 0 0 31 0 66 0 END SMILES for NP0352891 (5-Epi-nakijiquinone L)[H][C@@]12CCCC(=C)[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCC(C)CC)C1=O INCHI for NP0352891 (5-Epi-nakijiquinone L)InChI=1S/C26H39NO3/c1-7-16(2)15-27-20-13-21(28)24(30)19(23(20)29)14-26(6)18(4)11-12-25(5)17(3)9-8-10-22(25)26/h13,16,18,22,27,30H,3,7-12,14-15H2,1-2,4-6H3/t16?,18-,22+,25-,26+/m0/s1 3D Structure for NP0352891 (5-Epi-nakijiquinone L) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C26H39NO3 | |||||||||||||||
| Average Mass | 413.6020 Da | |||||||||||||||
| Monoisotopic Mass | 413.29299 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | [H][C@@]12CCCC(=C)[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(NCC(C)CC)C1=O | |||||||||||||||
| InChI Identifier | InChI=1S/C26H39NO3/c1-7-16(2)15-27-20-13-21(28)24(30)19(23(20)29)14-26(6)18(4)11-12-25(5)17(3)9-8-10-22(25)26/h13,16,18,22,27,30H,3,7-12,14-15H2,1-2,4-6H3/t16?,18-,22+,25-,26+/m0/s1 | |||||||||||||||
| InChI Key | OQBIQYAAYLIDNT-DYCGLIDOSA-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 | ||||||||||||||||
