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Lyciumamide B

CAT: 0804-HY-N13376Size: 1 EachDry Ice: NoHazardous: No
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Description
Lyciumamide B is a natural product[1].
CAS Number
1647111-41-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/lyciumamide-b.html
Smiles
O[C@H](C1=CC(OC)=C(C=C1)O)[C@@]2([H])C3=C(O)C(OC)=CC(/C=C/C(NCCC4=CC=C(OC5=CC=C(CCNC2=O)C=C5)C=C4)=O)=C3
Molecular Formula
C36H36N2O8
Molecular Weight
624.68
References & Citations
[1]Harvey A L. Natural products in drug discovery[J]. Drug discovery today, 2008, 13 (19-20) : 894-901.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

13-Hydroxy-11-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-14-methoxy-2-oxa-9,20-diazatetracyclo[21.2.2.23,6.112,16]triaconta-1(25),3(30),4,6(29),12,14,16(28),17,23,26-decaene-10,19-dione
CAS Number1647111-41-8
PubChem CID163016976
IUPAC Name13-hydroxy-11-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-14-methoxy-2-oxa-9,20-diazatetracyclo[21.2.2.23,6.112,16]triaconta-1(25),3(30),4,6(29),12,14,16(28),17,23,26-decaene-10,19-dione
Molecular FormulaC36H36N2O8
Molecular Weight624.7
XLogP5.1
Topological Polar Surface Area147
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count46
Formal Charge0
Complexity994
SMILES
COC1=CC2=CC(=C1O)C(C(=O)NCCC3=CC=C(C=C3)OC4=CC=C(CCNC(=O)C=C2)C=C4)C(C5=CC(=C(C=C5)O)OC)O
InChI
InChI=1S/C36H36N2O8/c1-44-30-21-25(8-13-29(30)39)34(41)33-28-19-24(20-31(45-2)35(28)42)7-14-32(40)37-17-15-22-3-9-26(10-4-22)46-27-11-5-23(6-12-27)16-18-38-36(33)43/h3-14,19-21,33-34,39,41-42H,15-18H2,1-2H3,(H,37,40)(H,38,43)
InChIKey
ITRZQYUTKGTYOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 13-Hydroxy-11-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-14-methoxy-2-oxa-9,20-diazatetracyclo[21.2.2.23,6.112,16]triaconta-1(25),3(30),4,6(29),12,14,16(28),17,23,26-decaene-10,19-dione
CAS: 1647111-41-8
CID: 163016976
Formula: C36H36N2O8
MW: 624.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.7
XLogP35.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass624.24716611
Monoisotopic Mass624.24716611
Topological Polar Surface Area147 Ų
Heavy Atom Count46
Formal Charge0
Complexity994
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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