NatID | 1501 |
Common Name | NatID_1501 |
Molecular Formula | C34H44O10 |
Chemical Class | Prenol lipids > Sesquiterpenoids |
Molecular Weight | 612.293 g/mol |
Other names | 1943697-95-7 |
Smiles | CC(=O)O[C@H]1C[C@]23O[C@H]2C[C@H]2c4ccc([C@H](C)[C@H]5C[C@]6(C)O[C@]6(C)[C@H](OC(C)=O)O5)cc4CC[C@@H]2[C@@]3(C)[C@@H](O)[C@@H]1OC(C)=O |
Inchi | InChI=1S/C34H44O10/c1-16(25-14-31(5)33(7,44-31)30(42-25)41-19(4)37)20-8-10-22-21(12-20)9-11-24-23(22)13-27-34(43-27)15-26(39-17(2)35)28(40-18(3)36)29(38)32(24,34)6/h8,10,12,16,23-30,38H,9,11,13-15H2,1-7H3/t16-,23-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33+,34-/m0/s1 |
Inchi Key | VBGGYIUWRVJYFF-OOGFLAABSA-N |
3D Structure |
clogP | 3.84 |
TPSA | 133.42 |
HBD | 1 |
HBA | 10 |
Rotatable Bonds | 5 |
Aromatic Rings | 1 |
Heavy Atoms | 44 |
Aromatic Carbocycles | 1 |
Aromatic Heterocycles | 0 |
Number of NO | 10 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
10163 | Curvularia lunata | No | Low | Basso, A. V., Nicotra, V. E., Parra, A., Martínez, A., & Fernández-Vivas, A. (2016). Biotransformation of Salpichrolides A, C, and G by Three Filamentous Fungi. Journal of Natural Products, 79(6), 1658–1667. https://doi.org/10.1021/acs.jnatprod.6b00310 |
10164 | Rhizomucor miehei | No | Low | Basso, A. V., Nicotra, V. E., Parra, A., Martínez, A., & Fernández-Vivas, A. (2016). Biotransformation of Salpichrolides A, C, and G by Three Filamentous Fungi. Journal of Natural Products, 79(6), 1658–1667. https://doi.org/10.1021/acs.jnatprod.6b00310 |
10165 | Cunninghamella elegans | No | Low | Basso, A. V., Nicotra, V. E., Parra, A., Martínez, A., & Fernández-Vivas, A. (2016). Biotransformation of Salpichrolides A, C, and G by Three Filamentous Fungi. Journal of Natural Products, 79(6), 1658–1667. https://doi.org/10.1021/acs.jnatprod.6b00310 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
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