New molecules
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taxol
InChI=1/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H
InChIKey=QZGGUGWZMOCUJB-UHFFFAOYAX
InChIKey=QZGGUGWZMOCUJB-UHFFFAOYAX
Posts
The first day on Day 1 of the New Communication Channels for Biology workshop was great. Lots of interesting talks and Q&A sessions at a very good venue. More after I return to Seattle, but it is good to see scientists discuss wikis, blogs, video, open...
I’m a bit confused, I had assumed that the complete stereochemistry of the anticancer drug Taxol had been assigned years ago, presumably at the point when its first total synthesis was performed if not before. I’ve written about the compound several...
We announced WiChempedia previously in terms of using our new dedicated website approach as a subset of ChemSpider. What we did there is show the leading part of the Wikipedia article and then ask people to click over to read the entire article on Wikipedia....
OH, DIABOLICAL ALCHEMIST! It appears you’re still up to avarice and evil. Shame. I read today in the worldly paper known as the “Financial times” that you’re destroying vast forests in your mad quest for the Yew tree. I quote:Paclitaxel,...
docetaxel
InChI=1/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,5
InChIKey=XBQKFMQLBXOKOR-UHFFFAOYAK
InChIKey=XBQKFMQLBXOKOR-UHFFFAOYAK
Posts
We announced WiChempedia previously in terms of using our new dedicated website approach as a subset of ChemSpider. What we did there is show the leading part of the Wikipedia article and then ask people to click over to read the entire article on Wikipedia....
amitriptyline
InChI=1/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
InChIKey=KRMDCWKBEZIMAB-UHFFFAOYAI
InChIKey=KRMDCWKBEZIMAB-UHFFFAOYAI
Posts
Posted on behalf of RetreadReading the biomedical literature is like reading a large Russian novel with thousands of characters who interact in unexpected ways. A recent paper [Nature Medicine vol. 14 pp. 382 -391 (2008)] brings together 3 such actors CFTR,...
montelukast
InChI=1/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/t32-/m1/s1/f/h38H
InChIKey=UCHDWCPVSPXUMX-XZVYATCBDK
InChIKey=UCHDWCPVSPXUMX-XZVYATCBDK
Posts
leukotriene receptor antagonist (LTRA) used to treat persistent asthma (the best kind!), allergic rhinitis (hay fever), and exercise-induced bronchoconstriction (your throat closing up after a nice jog around the neighbourhood)causes bronchodilation (throat...
pulegone
InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
InChIKey=NZGWDASTMWDZIW-MRVPVSSYBS
InChIKey=NZGWDASTMWDZIW-MRVPVSSYBS
Posts
Dake and Kozak. ACIEE, 2008, EarlyView. DOI: 10.1002/anie.200800522. A complex little target, this natural product is related to fawcettimine, which we looked at last year. However, fawcettidine has attracted far less synthetic attention than the latter, and...
anandamide
InChI=1/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-/f/h23H
InChIKey=LGEQQWMQCRIYKG-YBOJJYLWDG
InChIKey=LGEQQWMQCRIYKG-YBOJJYLWDG
Posts
I was looking up the composition of tears, and there I go. Tears-enkephaline-anandamide-meibomian glands-sebum-isotretinoin-tazarotene. Now I cite: Tazarotene (marketed as Tazorac, Avage and Zorac) is a prescription topical retinoid sold...
Printed encyclopedias of chemical information like the Merck Index suffer from the problem of becoming obsolete on publication. When new compounds are discovered, or when the information about a compound changes, those changes can take many months or years...
perylene
InChI=1/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1) 19(13)17/h1-12H
InChIKey=HTXUKNSHJCHNIM-UHFFFAOYAJ
InChIKey=HTXUKNSHJCHNIM-UHFFFAOYAJ
Posts
[0] Time for another hard-hitting post that asks the important questions: what’s pretty and has pretty colors?This is perylene. It’s yet another polycyclic aromatic hydrocarbon (PAH), and probably the one of the largest pure PAH that is soluble...
linked to by 1Clustering and classification of crystal structures is hot. Parkin hit the front cover of CrystEngComm with a story on Comparing entire crystal structures: structural genetic fingerprinting (DOI:10.1039/b704177b). Now, the story itself, while rather interesting...
tamiflu
InChI=1/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1/f/h18H
InChIKey=VSZGPKBBMSAYNT-BLUWQLLSDP
InChIKey=VSZGPKBBMSAYNT-BLUWQLLSDP
Posts
The Bird Flu is a ravaging disease that could kill quadrillions of people and is thus of paramount importance when an Angew. Chem. publication (DOI: 10.1002/anie.200800282) is on the line. Fortunately, before the disease can star pillaging and burninating,...
lipstatin
InChI=1/C29H49NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h13-14,16-17,22-27H,5-12,15,18-21H2,1-4H3,(H,30,31)/b14-13+,17-16+/t23u,24-,25u,26u,27-/m0/s1/f/h30H
InChIKey=JRUFOFIHYXDKPU-SFSGGMOADF
InChIKey=JRUFOFIHYXDKPU-SFSGGMOADF
Posts
That’s right. I said it. SHIT. It’s what we all do and, for some of us, it’s the best part of our day. Nothing quite like relaxing on the porcelain throne, flipping through the latest SciAm (or CEN) and droppin’ some ripe deuces. My...
orlistat
InChI=1/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1/f/h30H
InChIKey=AHLBNYSZXLDEJQ-KMXWKWOJDF
InChIKey=AHLBNYSZXLDEJQ-KMXWKWOJDF
Posts
That’s right. I said it. SHIT. It’s what we all do and, for some of us, it’s the best part of our day. Nothing quite like relaxing on the porcelain throne, flipping through the latest SciAm (or CEN) and droppin’ some ripe deuces. My...
