(6S,8R,12R,20R,23R,25S,29S)-12,29-bis[(3S,4E)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-7,13,17,24,30,34-hexaoxa-35,36-diazapentacyclo[30.2.1.1¹⁵,¹⁸.0⁶,⁸.0²³,²⁵]hexatriaconta-1(35),2,4,9,15,18(36),21,26,32-nonaene-14,31-dione
AlkaPlorer ID: AK370955
Synonym: None
IUPAC Name: (2Z,4E,6R,8S,9Z,12R,20R,21E,23R,25S,26Z,29S)-12,29-bis[(E,3S)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-7,13,17,24,30,34-hexaoxa-35,36-diazapentacyclo[30.2.1.115,18.06,8.023,25]hexatriaconta-1(35),2,4,9,15,18(36),21,26,32-nonaene-14,31-dione
Structure
SMILES: C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H]2O[C@@H]2/C=C/[C@H](OC)CC2=NC(=CO2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H]2O[C@@H]2/C=C/C=C\C2=NC(=CO2)C(=O)O1
InChI: InChI=1S/C43H54N2O11/c1-8-14-34(46)42(3,4)36-20-13-18-32-33(54-32)23-22-27(50-7)24-39-45-29(26-52-39)41(49)56-37(43(5,6)35(47)15-9-2)19-12-17-31-30(53-31)16-10-11-21-38-44-28(25-51-38)40(48)55-36/h8-18,21-23,25-27,30-37,46-47H,19-20,24H2,1-7H3/b14-8+,15-9+,16-10+,17-12-,18-13-,21-11-,23-22+/t27-,30+,31-,32-,33+,34-,35-,36-,37+/m0/s1
InChIKey: DUKYFBNEOVBQQG-MNQJEKGTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sorangium cellulosum | Sorangium | Polyangiaceae | Polyangiales | None | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 774.9080000000002
TPSA？: 179.41
MolLogP？: 6.464100000000008
Number of H-Donors: 2
Number of H-Acceptors: 13
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|