11(15→1)-Abeo-4(20),11-taxadiene-5,9,10,13,15-pentol; (5α,9α,10β,13α)-form, 5-(3-Dimethylamino-3-phenylpropanoyl), 10-benzoyl, 9,13-di-Ac
AlkaPlorer ID: AK282875
Synonym: None
IUPAC Name: [2,5-diacetyloxy-8-[3-(dimethylamino)-3-phenylpropanoyl]oxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-4-yl] benzoate
Structure
SMILES: C=C1C(OC(=O)CC(C2=CC=CC=C2)N(C)C)CCC2(C)C1CC1(C(C)(C)O)CC(OC(C)=O)C(C)=C1C(OC(=O)C1=CC=CC=C1)C2OC(C)=O
InChI: InChI=1S/C42H53NO9/c1-25-31-23-42(40(5,6)48)24-34(49-27(3)44)26(2)36(42)37(52-39(47)30-18-14-11-15-19-30)38(50-28(4)45)41(31,7)21-20-33(25)51-35(46)22-32(43(8)9)29-16-12-10-13-17-29/h10-19,31-34,37-38,48H,1,20-24H2,2-9H3
InChIKey: FTHVVPJZVLUGKA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Yunnanensis | Phaeosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 715.8840000000005
TPSA？: 128.67000000000002
MolLogP？: 6.533900000000009
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|