Taxuspine X

CAT: 0931-TN5124Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-TN5124Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

194782-02-0

Target

P-gp

Related Pathways

Neuroscience, Membrane transporter/Ion channel

Bioactivity

Taxuspine X may have p-glycoprotein inhibitory activity.

Smiles

O(C(C)=O)[C@@]\1(C=2C(C)(C)[C@]([C@@H](OC(C)=O)/C=C(\COC(C)=O)/[C@@H](OC(/C=C/C3=CC=CC=C3)=O)C[C@H](OC(C)=O)/C(/C)=C1\OC(C)=O)(C[C@H](OC(C)=O)C2C)[H])[H]

Molecular Formula

C41H50O14

Molecular Weight

766.83

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CID 124511126

CID 124511126 has been reported in Taxus cuspidata and Taxus wallichiana with data available.

CAS Number	194782-02-0
PubChem CID	124511126
IUPAC Name	[(1R,2S,3E,5S,7S,8Z,10R,13S)-2,7,9,10,13-pentaacetyloxy-4-(acetyloxymethyl)-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] (E)-3-phenylprop-2-enoate
Molecular Formula	C41H50O14
Molecular Weight	766.8
XLogP	3.2
Topological Polar Surface Area	184
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	17
Heavy Atom Count	55
Formal Charge	0
Complexity	1620

SMILES

CC1=C2[C@H](/C(=C(/[C@H](C[C@@H](/C(=C/[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)/COC(=O)C)OC(=O)/C=C/C3=CC=CC=C3)OC(=O)C)\C)/OC(=O)C)OC(=O)C

InChI

InChI=1S/C41H50O14/c1-22-33(50-25(4)43)19-32-36(52-27(6)45)18-31(21-49-24(3)42)35(55-37(48)17-16-30-14-12-11-13-15-30)20-34(51-26(5)44)23(2)39(53-28(7)46)40(54-29(8)47)38(22)41(32,9)10/h11-18,32-36,40H,19-21H2,1-10H3/b17-16+,31-18+,39-23-/t32-,33-,34-,35-,36-,40+/m0/s1

InChIKey

FLBNRACKRBUYNP-AHLSXCLRSA-N

Chemical Structure

2D Structure

CAS: 194782-02-0

CID: 124511126

Formula: C41H50O14

MW: 766.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	766.8
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	17
Exact Mass	766.32005626
Monoisotopic Mass	766.32005626
Topological Polar Surface Area	184 Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	1620
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TBZ0947	Taxuspine Y
TBZ0948	Taxuspine Z
MBS5763200	Taxuspine B
TBZ0946	Taxuspine X
TBZ1947	Taxuspine C

Taxuspine X

Chemical Information

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