Disorazole B1
AlkaPlorer ID: AK009808
Synonym: '', 'Disorazole-B1'
IUPAC Name: (2E,4Z,6S,8R,9E,12S,19E,21Z,23R,25R,26E,29S)-12-[(E,3S)-3-hydroxy-2-methylhex-4-en-2-yl]-29-[(E,3R)-3-hydroxy-2-methylhex-4-en-2-yl]-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),19,21,26,32-decaene-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=C\C2=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/C42H50N2O10/c1-7-15-33(45)41(3,4)35-21-13-19-31-29(51-31)17-9-12-24-38-44-28(26-50-38)40(48)54-36(42(5,6)34(46)16-8-2)22-14-20-32-30(52-32)18-10-11-23-37-43-27(25-49-37)39(47)53-35/h7-20,23-26,29-36,45-46H,21-22H2,1-6H3/b15-7+,16-8+,17-9-,18-10-,19-13+,20-14+,23-11+,24-12+/t29-,30+,31-,32-,33-,34+,35+,36+/m1/s1
InChIKey: FOQGKCOTKQAXPE-OKHUTPBWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sorangium cellulosum | Sorangium | Polyangiaceae | Polyangiales | None | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 742.8660000000003
TPSA？: 170.17999999999998
MolLogP？: 6.919800000000009
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|