Showing NP-Card for Clinopodiolide A (NP0353435)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-02-21 12:02:21 UTC | |||||||||||||||
| Updated at | 2026-02-21 16:01:10 UTC | |||||||||||||||
| NP-MRD ID | NP0353435 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/7935 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Clinopodiolide A | |||||||||||||||
| Description | Clinopodiolide A was first documented in 2019 (PMID: 31063376). | |||||||||||||||
| Structure |  MOL for NP0353435 (Clinopodiolide A)
Mrv2104 03222309142D
27 30 0 0 1 0 999 V2000
0.8171 0.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3398 1.2497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5552 2.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4863 2.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9787 1.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6517 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1441 0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8170 -0.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9635 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4559 -0.5452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2754 -0.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2906 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7982 1.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1100 0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4371 1.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6024 0.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8322 0.5878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2417 1.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8521 1.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0624 2.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3351 1.7243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3031 2.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0964 0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7245 0.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4860 0.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2758 -0.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4979 -0.8259 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 2 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
5 13 1 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
17 6 1 6 0 0 0
2 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
21 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 6 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
17 26 1 0 0 0 0
26 27 2 0 0 0 0
M END
3D SDF for NP0353435 (Clinopodiolide A)
Mrv2104 03222309142D
27 30 0 0 1 0 999 V2000
0.8171 0.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3398 1.2497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5552 2.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4863 2.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9787 1.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6517 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1441 0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8170 -0.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9635 0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4559 -0.5452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2754 -0.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2906 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7982 1.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1100 0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4371 1.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6024 0.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8322 0.5878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2417 1.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8521 1.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0624 2.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3351 1.7243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3031 2.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0964 0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7245 0.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4860 0.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2758 -0.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4979 -0.8259 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 2 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
5 13 1 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
17 6 1 6 0 0 0
2 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
21 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 6 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
17 26 1 0 0 0 0
26 27 2 0 0 0 0
M END
> <DATABASE_ID>
NP0353435
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H][C@@]12CCC3=C(C(O)=C(OC)C(=C3)C(C)C)[C@@]11CCC[C@]2(C)C(O)OC1=O
> <INCHI_IDENTIFIER>
InChI=1S/C21H28O5/c1-11(2)13-10-12-6-7-14-20(3)8-5-9-21(14,19(24)26-18(20)23)15(12)16(22)17(13)25-4/h10-11,14,18,22-23H,5-9H2,1-4H3/t14-,18?,20-,21+/m0/s1
> <INCHI_KEY>
OFHKKPKTIHATKU-OBVMDAEUSA-N
> <FORMULA>
C21H28O5
> <MOLECULAR_WEIGHT>
360.45
> <EXACT_MASS>
360.193674002
$$$$
PDB for NP0353435 (Clinopodiolide A)HEADER PROTEIN 22-MAR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 22-MAR-23 0 HETATM 1 H UNK 0 1.525 1.141 0.000 0.00 0.00 H+0 HETATM 2 C UNK 0 2.501 2.333 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 2.903 3.810 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 4.641 3.925 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 5.560 2.689 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 4.950 1.275 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 5.869 0.040 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 5.258 -1.374 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 7.399 0.218 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 8.318 -1.018 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 9.847 -0.839 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 8.009 1.632 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 7.090 2.867 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 9.539 1.810 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 10.149 3.224 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 10.458 0.574 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 3.420 1.097 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 4.184 2.143 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 3.457 3.500 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 1.983 3.946 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 0.626 3.219 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.566 4.194 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 0.180 1.745 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 -1.352 1.592 0.000 0.00 0.00 O+0 HETATM 25 O UNK 0 0.907 0.387 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 2.381 -0.059 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 2.796 -1.542 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 17 21 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 13 CONECT 6 5 7 17 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 12 CONECT 10 9 11 CONECT 11 10 CONECT 12 9 13 14 CONECT 13 12 5 CONECT 14 12 15 16 CONECT 15 14 CONECT 16 14 CONECT 17 6 2 18 26 CONECT 18 17 19 CONECT 19 18 20 CONECT 20 19 21 CONECT 21 20 2 22 23 CONECT 22 21 CONECT 23 21 24 25 CONECT 24 23 CONECT 25 23 26 CONECT 26 25 17 27 CONECT 27 26 MASTER 0 0 0 0 0 0 0 0 27 0 60 0 END SMILES for NP0353435 (Clinopodiolide A)[H][C@@]12CCC3=C(C(O)=C(OC)C(=C3)C(C)C)[C@@]11CCC[C@]2(C)C(O)OC1=O INCHI for NP0353435 (Clinopodiolide A)InChI=1S/C21H28O5/c1-11(2)13-10-12-6-7-14-20(3)8-5-9-21(14,19(24)26-18(20)23)15(12)16(22)17(13)25-4/h10-11,14,18,22-23H,5-9H2,1-4H3/t14-,18?,20-,21+/m0/s1 3D Structure for NP0353435 (Clinopodiolide A) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C21H28O5 | |||||||||||||||
| Average Mass | 360.4500 Da | |||||||||||||||
| Monoisotopic Mass | 360.19367 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | [H][C@@]12CCC3=C(C(O)=C(OC)C(=C3)C(C)C)[C@@]11CCC[C@]2(C)C(O)OC1=O | |||||||||||||||
| InChI Identifier | InChI=1S/C21H28O5/c1-11(2)13-10-12-6-7-14-20(3)8-5-9-21(14,19(24)26-18(20)23)15(12)16(22)17(13)25-4/h10-11,14,18,22-23H,5-9H2,1-4H3/t14-,18?,20-,21+/m0/s1 | |||||||||||||||
| InChI Key | OFHKKPKTIHATKU-OBVMDAEUSA-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 | ||||||||||||||||
