Tetromycin C aglycone; 6-Demethyl, 7-Me, 6,7-didehydro, 9-O-[4,6-dideoxy-4-(2-hydroxy-4-methoxy-6-methylbenzoylamino)-3-C-methylhexopyranoside]
AlkaPlorer ID: AK315688
Synonym: Tetromycin 1
IUPAC Name: 17-[3,4-dihydroxy-5-[(2-hydroxy-4-methoxy-6-methylbenzoyl)amino]-4,6-dimethyloxan-2-yl]oxy-23-hydroxy-3,6,8,12,14,19,22-heptamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,19,23-pentaene-4-carboxylic acid
Structure
SMILES: COC1=CC(C)=C(C(=O)NC2C(C)OC(OC3CC(C)=CC4C3CC(C)C3C(C)=CCCC(C)=CC5(C)C=C(C(=O)O)C(C)CC56OC(=O)C(=C6O)C(=O)C43C)C(O)C2(C)O)C(O)=C1
InChI: InChI=1S/C50H65NO13/c1-23-13-12-14-25(3)38-27(5)18-31-33(48(38,9)40(53)37-41(54)50(64-45(37)59)21-28(6)32(44(57)58)22-47(50,8)20-23)15-24(2)16-35(31)63-46-42(55)49(10,60)39(29(7)62-46)51-43(56)36-26(4)17-30(61-11)19-34(36)52/h14-15,17,19-20,22,27-29,31,33,35,38-39,42,46,52,54-55,60H,12-13,16,18,21H2,1-11H3,(H,51,56)(H,57,58)
InChIKey: BXVNSPUCYYOHOZ-UHFFFAOYSA-N
Reference
COCONUT: CNP0120993.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces axinellae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 888.0640000000003
TPSA？: 218.38
MolLogP？: 6.71452000000001
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|