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Lamellarin H

CAT: 0804-HY-121430Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-121430Size:1 Each
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Description
Lamellarin H is a benzo-isoquinoline-coumarin[1].
CAS Number
115982-22-4
UNSPSC
12352005
Target
Drug Derivative
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/lamellarin-h.html
Smiles
O=C1OC2=CC(O)=C(C=C2C3=C1N4C=CC5=C(C=C(C(O)=C5)O)C4=C3C6=CC(O)=C(O)C=C6)O
Molecular Formula
C25H15NO8
Molecular Weight
457.39
References & Citations
[1]Clemes Dialer, et al. Synthesis of Lamellarin D Trimethyl Ether and Lamellarin H via 6πElectrocyclization. J Org Chem. 2015 Nov 20;80 (22) :11605-10.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Lamellarin H

a benzo-isoquinoline-coumarin

CAS Number115982-22-4
PubChem CID9846904
IUPAC Name12-(3,4-dihydroxyphenyl)-7,8,16,17-tetrahydroxy-4-oxa-1-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2(11),5,7,9,12,14,16,18,20-nonaen-3-one
Molecular FormulaC25H15NO8
Molecular Weight457.4
XLogP4.7
Topological Polar Surface Area152
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity797
SMILES
C1=CC(=C(C=C1C2=C3C4=CC(=C(C=C4C=CN3C5=C2C6=CC(=C(C=C6OC5=O)O)O)O)O)O)O
InChI
InChI=1S/C25H15NO8/c27-14-2-1-11(6-15(14)28)21-22-13-8-18(31)19(32)9-20(13)34-25(33)24(22)26-4-3-10-5-16(29)17(30)7-12(10)23(21)26/h1-9,27-32H
InChIKey
BPOUMVNAKKCMPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lamellarin H
CAS: 115982-22-4
CID: 9846904
Formula: C25H15NO8
MW: 457.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.4
XLogP34.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass457.07976644
Monoisotopic Mass457.07976644
Topological Polar Surface Area152 Ų
Heavy Atom Count34
Formal Charge0
Complexity797
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19193977Lamellarin H

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