Showing NP-Card for Aracordatin C (NP0353667)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-02-24 13:01:38 UTC | |||||||||||||||
| Updated at | 2026-02-24 16:01:24 UTC | |||||||||||||||
| NP-MRD ID | NP0353667 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/8206 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Aracordatin C | |||||||||||||||
| Description | Aracordatin C was first documented in 2021 (PMID: 33476145). | |||||||||||||||
| Structure |  MOL for NP0353667 (Aracordatin C)
Mrv2104 03252310132D
31 33 0 0 1 0 999 V2000
2.2936 1.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1060 0.8688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9185 0.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2007 -0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6704 -0.6817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3848 -1.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0993 -0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8138 -1.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8138 -1.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5282 -0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2427 -1.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9572 -0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2427 -1.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3882 -1.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5757 -1.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5757 0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7633 0.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4811 1.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0114 1.7873 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5417 2.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7292 2.5625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0147 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2595 3.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0720 3.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3542 2.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8239 1.6440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6363 1.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1989 3.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3865 3.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4811 3.9697 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
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 2 0 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
5 14 1 6 0 0 0
14 15 2 0 0 0 0
5 16 1 0 0 0 0
16 17 2 0 0 0 0
2 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
20 19 1 0 0 0 0
20 21 1 1 0 0 0
20 22 1 0 0 0 0
22 23 1 1 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
27 26 1 0 0 0 0
27 2 1 0 0 0 0
20 27 1 0 0 0 0
27 28 1 6 0 0 0
22 29 1 6 0 0 0
29 30 1 0 0 0 0
29 31 2 0 0 0 0
M END
3D SDF for NP0353667 (Aracordatin C)
Mrv2104 03252310132D
31 33 0 0 1 0 999 V2000
2.2936 1.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1060 0.8688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9185 0.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2007 -0.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6704 -0.6817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3848 -1.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0993 -0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8138 -1.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8138 -1.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5282 -0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2427 -1.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9572 -0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2427 -1.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3882 -1.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5757 -1.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5757 0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7633 0.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4811 1.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0114 1.7873 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5417 2.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7292 2.5625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0147 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2595 3.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0720 3.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3542 2.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8239 1.6440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6363 1.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1989 3.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3865 3.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4811 3.9697 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
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 2 0 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
5 14 1 6 0 0 0
14 15 2 0 0 0 0
5 16 1 0 0 0 0
16 17 2 0 0 0 0
2 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
20 19 1 0 0 0 0
20 21 1 1 0 0 0
20 22 1 0 0 0 0
22 23 1 1 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
27 26 1 0 0 0 0
27 2 1 0 0 0 0
20 27 1 0 0 0 0
27 28 1 6 0 0 0
22 29 1 6 0 0 0
29 30 1 0 0 0 0
29 31 2 0 0 0 0
M END
> <DATABASE_ID>
NP0353667
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H][C@@]12CC[C@](COC(=O)CC(C)C)(C=C)C=C1CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O
> <INCHI_IDENTIFIER>
InChI=1S/C25H38O4/c1-6-25(16-29-21(26)14-17(2)3)13-10-19-18(15-25)8-9-20-23(19,4)11-7-12-24(20,5)22(27)28/h6,15,17,19-20H,1,7-14,16H2,2-5H3,(H,27,28)/t19-,20+,23+,24-,25-/m1/s1
> <INCHI_KEY>
LSRAEMSQIVHMHQ-GNCQJGLLSA-N
> <FORMULA>
C25H38O4
> <MOLECULAR_WEIGHT>
402.575
> <EXACT_MASS>
402.277009704
$$$$
PDB for NP0353667 (Aracordatin C)HEADER PROTEIN 25-MAR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 25-MAR-23 0 HETATM 1 H UNK 0 4.281 1.889 0.000 0.00 0.00 H+0 HETATM 2 C UNK 0 5.798 1.622 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 7.315 1.354 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 7.841 -0.093 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 6.851 -1.273 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 8.185 -2.043 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 9.519 -1.273 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 10.852 -2.043 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 10.852 -3.583 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 12.186 -1.273 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 13.520 -2.043 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 14.853 -1.273 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 13.520 -3.583 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 6.325 -2.720 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 4.808 -2.987 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 5.335 -1.005 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 4.808 0.442 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 3.291 0.709 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 2.765 2.157 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 3.755 3.336 0.000 0.00 0.00 C+0 HETATM 21 H UNK 0 4.744 4.516 0.000 0.00 0.00 H+0 HETATM 22 C UNK 0 3.228 4.783 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 1.894 4.013 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 4.218 5.963 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 5.734 5.696 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 6.261 4.249 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 5.271 3.069 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 6.788 2.801 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 2.238 5.963 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 0.721 5.696 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 2.765 7.410 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 17 27 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 14 16 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 CONECT 14 5 15 CONECT 15 14 CONECT 16 5 17 CONECT 17 16 2 18 CONECT 18 17 19 CONECT 19 18 20 CONECT 20 19 21 22 27 CONECT 21 20 CONECT 22 20 23 24 29 CONECT 23 22 CONECT 24 22 25 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 2 20 28 CONECT 28 27 CONECT 29 22 30 31 CONECT 30 29 CONECT 31 29 MASTER 0 0 0 0 0 0 0 0 31 0 66 0 END SMILES for NP0353667 (Aracordatin C)[H][C@@]12CC[C@](COC(=O)CC(C)C)(C=C)C=C1CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O INCHI for NP0353667 (Aracordatin C)InChI=1S/C25H38O4/c1-6-25(16-29-21(26)14-17(2)3)13-10-19-18(15-25)8-9-20-23(19,4)11-7-12-24(20,5)22(27)28/h6,15,17,19-20H,1,7-14,16H2,2-5H3,(H,27,28)/t19-,20+,23+,24-,25-/m1/s1 3D Structure for NP0353667 (Aracordatin C) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C25H38O4 | |||||||||||||||
| Average Mass | 402.5750 Da | |||||||||||||||
| Monoisotopic Mass | 402.27701 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | [H][C@@]12CC[C@](COC(=O)CC(C)C)(C=C)C=C1CC[C@]1([H])[C@@](C)(CCC[C@@]21C)C(O)=O | |||||||||||||||
| InChI Identifier | InChI=1S/C25H38O4/c1-6-25(16-29-21(26)14-17(2)3)13-10-19-18(15-25)8-9-20-23(19,4)11-7-12-24(20,5)22(27)28/h6,15,17,19-20H,1,7-14,16H2,2-5H3,(H,27,28)/t19-,20+,23+,24-,25-/m1/s1 | |||||||||||||||
| InChI Key | LSRAEMSQIVHMHQ-GNCQJGLLSA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
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| Predicted Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||
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| 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 | ||||||||||||||||
