7-Xylosyl-10-deacetyltaxol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H57NO17
Molecular Weight	943.9841
Optical Activity	( - )
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@]4(C)C(=O)[C@H](O)C5=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C6=CC=CC=C6)[C@]4([H])[C@@]1(CO2)OC(C)=O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChIKey=ORKLEZFXASNLFJ-DYLQFHMVSA-N

InChI=1S/C50H57NO17/c1-25-31(65-45(61)38(56)35(27-15-9-6-10-16-27)51-43(59)28-17-11-7-12-18-28)22-50(62)42(67-44(60)29-19-13-8-14-20-29)40-48(5,41(58)37(55)34(25)47(50,3)4)32(21-33-49(40,24-64-33)68-26(2)52)66-46-39(57)36(54)30(53)23-63-46/h6-20,30-33,35-40,42,46,53-57,62H,21-24H2,1-5H3,(H,51,59)/t30-,31+,32+,33-,35+,36+,37-,38-,39-,40+,42+,46+,48-,49+,50-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C50H57NO17
Molecular Weight	943.9841
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
microtubule 2 Target ID: GO:0005874 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18575755\|https://www.omicsonline.org/evaluating-new-targets-of-natural-anticancer-molecules-through-bioinformatics-tools-jpb.1000212.php?%20aid=4407	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:48:21 GMT 2023` Edited by `admin` on `Sat Dec 16 19:48:21 GMT 2023`
Record UNII	FG7GB8N4YQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-Xylosyl-10-deacetyltaxol

Common Name

English

7-Xylosyl-10-deacetylpaclitaxel

Common Name

English

10-Deacetyl-7-xylosyltaxol

Common Name

English

(3aR,4aS,8S,11R,13aR)-3a-acetoxy-8-(((2R)-3-(cyclohexa-2,4-diene-1-carboxamido)-2-hydroxy-3-phenylpropanoyl)oxy)-6,11-dihydroxy-9,12a,14,14-tetramethyl-12-oxo-13-((3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-1,3a,4,5,6,7,8,11,12,12a,13,13a-dodecahydro-

Systematic Name

English

Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(β-D-xylopyranosyloxy)-7,11-methano-1H-

Systematic Name

English

Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(β-D-xylopyranosyloxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl es

Systematic Name

English

10-Deacetyltaxol 7-xyloside

Common Name

English

10-Deacetylpaclitaxel 7-xyloside

Common Name

English

10-Deacetyl-7-xylosylpaclitaxel

Common Name

English

7β-Xylosyl-10-deacetyltaxol

Common Name

English

Code System Code Type Description

PUBCHEM

9811678

Created by admin on Sat Dec 16 19:48:21 GMT 2023 , Edited by admin on Sat Dec 16 19:48:21 GMT 2023

PRIMARY

CAS

90332-63-1

Created by admin on Sat Dec 16 19:48:21 GMT 2023 , Edited by admin on Sat Dec 16 19:48:21 GMT 2023

PRIMARY

FDA UNII

FG7GB8N4YQ

Created by admin on Sat Dec 16 19:48:21 GMT 2023 , Edited by admin on Sat Dec 16 19:48:21 GMT 2023

PRIMARY