Showing NP-Card for Bistaxascendin D (NP0352043)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2025-12-19 21:55:57 UTC | |||||||||||||||
| Updated at | 2026-01-25 03:35:27 UTC | |||||||||||||||
| NP-MRD ID | NP0352043 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/5118 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Bistaxascendin D | |||||||||||||||
| Description | Not Available | |||||||||||||||
| Structure | MOL for NP0352043 (Bistaxascendin D)
Mrv2104 01172319132D
48 53 0 0 1 0 999 V2000
4.0145 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3645 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5395 -1.0164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2845 -1.8011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9520 -2.2860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9520 -3.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6664 -3.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3809 -3.1110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6631 -3.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8506 -2.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1328 -1.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9452 -1.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4755 -2.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0058 -1.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1900 -2.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1934 -2.9677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7237 -3.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 -3.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4415 -4.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6664 -4.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9520 -4.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9520 -5.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2375 -4.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5230 -4.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1914 -4.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5230 -5.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2375 -3.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2169 -2.6605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6194 -1.8011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1270 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7145 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4452 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4733 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5395 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
11 5 1 0 0 0 0
12 11 1 0 0 0 0
12 13 1 6 0 0 0
14 13 1 0 0 0 0
14 15 1 6 0 0 0
15 16 2 0 0 0 0
17 16 1 1 0 0 0
17 18 1 6 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
25 22 1 0 0 0 0
17 25 1 0 0 0 0
25 26 1 6 0 0 0
26 27 1 0 0 0 0
26 28 2 0 0 0 0
16 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 2 0 0 0 0
15 36 1 0 0 0 0
14 37 1 1 0 0 0
14 38 1 0 0 0 0
11 38 1 6 0 0 0
12 39 1 0 0 0 0
39 40 1 6 0 0 0
39 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
41 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
47 46 1 0 0 0 0
39 47 1 0 0 0 0
47 4 1 0 0 0 0
47 48 1 1 0 0 0
M END
3D SDF for NP0352043 (Bistaxascendin D)
Mrv2104 01172319132D
48 53 0 0 1 0 999 V2000
4.0145 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3645 -1.0164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5395 -1.0164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2845 -1.8011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9520 -2.2860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9520 -3.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6664 -3.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3809 -3.1110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6631 -3.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8506 -2.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1328 -1.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9452 -1.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4755 -2.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0058 -1.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1900 -2.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1934 -2.9677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7237 -3.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 -3.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4415 -4.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6664 -4.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9520 -4.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9520 -5.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2375 -4.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5230 -4.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1914 -4.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5230 -5.5860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2375 -3.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2169 -2.6605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6194 -1.8011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1270 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7145 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4452 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4733 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5395 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
11 5 1 0 0 0 0
12 11 1 0 0 0 0
12 13 1 6 0 0 0
14 13 1 0 0 0 0
14 15 1 6 0 0 0
15 16 2 0 0 0 0
17 16 1 1 0 0 0
17 18 1 6 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
25 22 1 0 0 0 0
17 25 1 0 0 0 0
25 26 1 6 0 0 0
26 27 1 0 0 0 0
26 28 2 0 0 0 0
16 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 2 0 0 0 0
15 36 1 0 0 0 0
14 37 1 1 0 0 0
14 38 1 0 0 0 0
11 38 1 6 0 0 0
12 39 1 0 0 0 0
39 40 1 6 0 0 0
39 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
41 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
47 46 1 0 0 0 0
39 47 1 0 0 0 0
47 4 1 0 0 0 0
47 48 1 1 0 0 0
M END
> <DATABASE_ID>
NP0352043
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]C(=O)[C@H]1C(C)(C)CCC[C@]1(C)C1=C(C=C(C(C)C)C(O)=C1)[C@@]1([H])O[C@@H]2[C@H](O1)[C@@]1([H])C(C)(C)CCC[C@]1(C)C1=C2C=C(C(C)C)C(O)=C1
> <INCHI_IDENTIFIER>
InChI=1S/C40H56O5/c1-22(2)24-17-26-28(19-30(24)42)40(10)16-12-14-38(7,8)35(40)34-33(26)44-36(45-34)27-18-25(23(3)4)31(43)20-29(27)39(9)15-11-13-37(5,6)32(39)21-41/h17-23,32-36,42-43H,11-16H2,1-10H3/t32-,33-,34-,35-,36-,39+,40+/m0/s1
> <INCHI_KEY>
MWDFPCUZRNPYPD-YMQYVTQYSA-N
> <FORMULA>
C40H56O5
> <MOLECULAR_WEIGHT>
616.883
> <EXACT_MASS>
616.412774903
$$$$
PDB for NP0352043 (Bistaxascendin D)HEADER PROTEIN 17-JAN-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 17-JAN-23 0 HETATM 1 O UNK 0 7.494 3.437 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 6.724 2.104 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 5.184 2.104 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 4.414 0.770 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 5.184 -0.564 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 6.724 -0.564 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 7.494 0.770 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 9.034 0.770 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 9.804 2.104 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 9.804 -0.564 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 4.414 -1.897 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 2.874 -1.897 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 2.398 -3.362 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 3.644 -4.267 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 3.644 -5.807 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 4.977 -6.577 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 6.311 -5.807 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 6.838 -7.254 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 5.321 -4.627 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 5.848 -3.180 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 7.364 -2.913 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 8.354 -4.093 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 9.344 -2.913 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 9.688 -4.863 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 7.828 -5.540 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 8.818 -6.719 0.000 0.00 0.00 C+0 HETATM 27 H UNK 0 10.334 -6.452 0.000 0.00 0.00 H+0 HETATM 28 O UNK 0 8.291 -8.167 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 4.977 -8.117 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 3.644 -8.887 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 3.644 -10.427 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 2.310 -8.117 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 0.976 -8.887 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -0.357 -8.117 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 0.976 -10.427 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 2.310 -6.577 0.000 0.00 0.00 C+0 HETATM 37 H UNK 0 2.272 -4.966 0.000 0.00 0.00 H+0 HETATM 38 O UNK 0 4.890 -3.362 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 2.104 -0.564 0.000 0.00 0.00 C+0 HETATM 40 H UNK 0 1.334 0.770 0.000 0.00 0.00 H+0 HETATM 41 C UNK 0 0.564 -0.564 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 0.831 -2.080 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -0.883 -1.090 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -0.206 0.770 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 0.564 2.104 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 2.104 2.104 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 2.874 0.770 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 3.644 2.104 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 7 CONECT 3 2 4 CONECT 4 3 5 47 CONECT 5 4 6 11 CONECT 6 5 7 CONECT 7 6 2 8 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 CONECT 11 5 12 38 CONECT 12 11 13 39 CONECT 13 12 14 CONECT 14 13 15 37 38 CONECT 15 14 16 36 CONECT 16 15 17 29 CONECT 17 16 18 19 25 CONECT 18 17 CONECT 19 17 20 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 23 24 25 CONECT 23 22 CONECT 24 22 CONECT 25 22 17 26 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 CONECT 29 16 30 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 36 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 CONECT 36 32 15 CONECT 37 14 CONECT 38 14 11 CONECT 39 12 40 41 47 CONECT 40 39 CONECT 41 39 42 43 44 CONECT 42 41 CONECT 43 41 CONECT 44 41 45 CONECT 45 44 46 CONECT 46 45 47 CONECT 47 46 39 4 48 CONECT 48 47 MASTER 0 0 0 0 0 0 0 0 48 0 106 0 END SMILES for NP0352043 (Bistaxascendin D)[H]C(=O)[C@H]1C(C)(C)CCC[C@]1(C)C1=C(C=C(C(C)C)C(O)=C1)[C@@]1([H])O[C@@H]2[C@H](O1)[C@@]1([H])C(C)(C)CCC[C@]1(C)C1=C2C=C(C(C)C)C(O)=C1 INCHI for NP0352043 (Bistaxascendin D)InChI=1S/C40H56O5/c1-22(2)24-17-26-28(19-30(24)42)40(10)16-12-14-38(7,8)35(40)34-33(26)44-36(45-34)27-18-25(23(3)4)31(43)20-29(27)39(9)15-11-13-37(5,6)32(39)21-41/h17-23,32-36,42-43H,11-16H2,1-10H3/t32-,33-,34-,35-,36-,39+,40+/m0/s1 3D Structure for NP0352043 (Bistaxascendin D) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C40H56O5 | |||||||||||||||
| Average Mass | 616.8830 Da | |||||||||||||||
| Monoisotopic Mass | 616.41277 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | [H]C(=O)[C@H]1C(C)(C)CCC[C@]1(C)C1=C(C=C(C(C)C)C(O)=C1)[C@@]1([H])O[C@@H]2[C@H](O1)[C@@]1([H])C(C)(C)CCC[C@]1(C)C1=C2C=C(C(C)C)C(O)=C1 | |||||||||||||||
| InChI Identifier | InChI=1S/C40H56O5/c1-22(2)24-17-26-28(19-30(24)42)40(10)16-12-14-38(7,8)35(40)34-33(26)44-36(45-34)27-18-25(23(3)4)31(43)20-29(27)39(9)15-11-13-37(5,6)32(39)21-41/h17-23,32-36,42-43H,11-16H2,1-10H3/t32-,33-,34-,35-,36-,39+,40+/m0/s1 | |||||||||||||||
| InChI Key | MWDFPCUZRNPYPD-YMQYVTQYSA-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 | ||||||||||||||||