Showing NP-Card for Epipinoresinol (NP0353057)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-02-17 04:46:19 UTC | |||||||||||||||
| Updated at | 2026-02-17 08:01:28 UTC | |||||||||||||||
| NP-MRD ID | NP0353057 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/7389 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Epipinoresinol | |||||||||||||||
| Description | Epipinoresinol was first documented in 2026 (PMID: 41694105). | |||||||||||||||
| Structure |  MOL for NP0353057 (Epipinoresinol)
Mrv2104 03182301592D
26 29 0 0 0 0 999 V2000
-1.1092 3.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 2.3248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0473 2.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5047 2.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3117 2.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5666 1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0146 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2076 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2695 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0542 0.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8388 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3237 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8388 -0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0542 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2695 -0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7846 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0937 -1.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9007 -1.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1556 -2.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6036 -3.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7966 -3.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5417 -2.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8585 -4.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9626 -2.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2175 -3.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2498 3.5510 0.0000 O 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 2 0 0 0 0
3 8 1 0 0 0 0
7 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
10 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
9 16 1 0 0 0 0
13 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
17 22 1 0 0 0 0
20 23 1 0 0 0 0
19 24 1 0 0 0 0
24 25 1 0 0 0 0
4 26 1 0 0 0 0
M END
3D SDF for NP0353057 (Epipinoresinol)
Mrv2104 03182301592D
26 29 0 0 0 0 999 V2000
-1.1092 3.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8543 2.3248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0473 2.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5047 2.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3117 2.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5666 1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0146 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2076 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2695 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0542 0.1576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8388 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3237 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8388 -0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0542 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2695 -0.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7846 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0937 -1.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9007 -1.8785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1556 -2.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6036 -3.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7966 -3.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5417 -2.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8585 -4.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9626 -2.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2175 -3.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2498 3.5510 0.0000 O 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 2 0 0 0 0
3 8 1 0 0 0 0
7 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
10 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
9 16 1 0 0 0 0
13 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
17 22 1 0 0 0 0
20 23 1 0 0 0 0
19 24 1 0 0 0 0
24 25 1 0 0 0 0
4 26 1 0 0 0 0
M END
> <DATABASE_ID>
NP0353057
> <DATABASE_NAME>
NP-MRD
> <SMILES>
COC1=C(O)C=CC(=C1)C1OCC2C1COC2C1=CC(OC)=C(O)C=C1
> <INCHI_IDENTIFIER>
InChI=1/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3
> <INCHI_KEY>
HGXBRUKMWQGOIE-UHFFFAOYNA-N
> <FORMULA>
C20H22O6
> <MOLECULAR_WEIGHT>
358.39
> <EXACT_MASS>
358.141638428
$$$$
PDB for NP0353057 (Epipinoresinol)HEADER PROTEIN 18-MAR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 18-MAR-23 0 HETATM 1 C UNK 0 -2.071 5.804 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 -1.595 4.340 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 -0.088 4.019 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 0.942 5.164 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 2.449 4.844 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 2.924 3.379 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 1.894 2.235 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 0.388 2.555 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 2.370 0.770 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 3.834 0.294 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 5.299 0.770 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 6.204 -0.476 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 5.299 -1.722 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 3.834 -1.246 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 2.370 -1.722 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 1.465 -0.476 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 5.775 -3.186 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 7.281 -3.507 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 7.757 -4.971 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 6.727 -6.116 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 5.220 -5.795 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 4.744 -4.331 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 7.203 -7.580 0.000 0.00 0.00 O+0 HETATM 24 O UNK 0 9.264 -5.291 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 9.739 -6.756 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 0.466 6.629 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 8 CONECT 4 3 5 26 CONECT 5 4 6 CONECT 6 5 7 CONECT 7 6 8 9 CONECT 8 7 3 CONECT 9 7 10 16 CONECT 10 9 11 14 CONECT 11 10 12 CONECT 12 11 13 CONECT 13 12 14 17 CONECT 14 13 10 15 CONECT 15 14 16 CONECT 16 15 9 CONECT 17 13 18 22 CONECT 18 17 19 CONECT 19 18 20 24 CONECT 20 19 21 23 CONECT 21 20 22 CONECT 22 21 17 CONECT 23 20 CONECT 24 19 25 CONECT 25 24 CONECT 26 4 MASTER 0 0 0 0 0 0 0 0 26 0 58 0 END INCHI for NP0353057 (Epipinoresinol)InChI=1/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3 3D Structure for NP0353057 (Epipinoresinol) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C20H22O6 | |||||||||||||||
| Average Mass | 358.3900 Da | |||||||||||||||
| Monoisotopic Mass | 358.14164 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | COC1=C(O)C=CC(=C1)C1OCC2C1COC2C1=CC(OC)=C(O)C=C1 | |||||||||||||||
| InChI Identifier | InChI=1/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3 | |||||||||||||||
| InChI Key | HGXBRUKMWQGOIE-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 | ||||||||||||||||
