Structure Database (LMSD)
Common Name
FR901465
Systematic Name
(2S,3Z)-5-{[(2R,3R,5S,6S)-2,5-dimethyl-6-{(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]penta-2,4-dien-1-yl}tetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate
Synonyms
LM ID
LMFA08020178
Formula
Exact Mass
Calculate m/z
523.278134
Sum Composition
Status
Active
3D model of FR901465
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DQTXAXNYLWRTPB-NTVXLVODSA-N
InChi (Click to copy)
InChI=1S/C27H41NO9/c1-15(8-11-22-24(31)27(14-34-27)25(32)26(6,33)37-22)7-10-21-16(2)13-20(18(4)36-21)28-23(30)12-9-17(3)35-19(5)29/h7-9,11-12,16-18,20-22,24-25,31-33H,10,13-14H2,1-6H3,(H,28,30)/b11-8+,12-9-,15-7+/t16-,17-,18+,20+,21-,22+,24+,25-,26-,27+/m0/s1
SMILES (Click to copy)
C[C@]1(O)O[C@@H]([C@@H](O)[C@]2([C@H]1O)OC2)/C=C/C(/C)=C/C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\[C@@H](OC(C)=O)C)C[C@@H]1C
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Pseudomonas sp. PG2982
(#308)
New antitumor substances, FR901463, FR901464 and FR901465. I. Taxonomy, fermentation, isolation, physico-chemical properties and biological activities.,
J Antibiot (Tokyo), 1996
J Antibiot (Tokyo), 1996
Pubmed ID:
9031664
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
37
Rings
3
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
515.49
Topological Polar Surface Area
151.22
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
10
logP
4.15
Molar Refractivity
139.22
Admin
Created at
-
Updated at
13th Sep 2021