2(3→20)-Abeo-2,5,7,10,13-pentahydroxy-4(20),11-taxadien-9-one; (2α,5α,7β,10β,13α)-form, 5-(3S-Dimethylamino-2S-hydroxy-3-phenylpropanoyl), 2,7,10,13-tetra-Ac
AlkaPlorer ID: AK282869
Synonym: 7,10-Diacetyltaxine A
IUPAC Name: (2,7,10,13-tetraacetyloxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl) 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate
Structure
SMILES: CC(=O)OC1CC2C(OC(C)=O)C=C3CC(C)(C(=O)C(OC(C)=O)C(=C1C)C2(C)C)C(OC(C)=O)CC3OC(=O)C(O)C(C1=CC=CC=C1)N(C)C
InChI: InChI=1S/C39H51NO12/c1-20-28(48-21(2)41)17-27-30(49-22(3)42)16-26-19-39(8,36(46)35(51-24(5)44)32(20)38(27,6)7)31(50-23(4)43)18-29(26)52-37(47)34(45)33(40(9)10)25-14-12-11-13-15-25/h11-16,27-31,33-35,45H,17-19H2,1-10H3
InChIKey: QZXSCTUQWKPCKY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Yunnanensis | Phaeosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 725.8320000000003
TPSA？: 172.04
MolLogP？: 3.960600000000002
Number of H-Donors: 1
Number of H-Acceptors: 13
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|