Ocoteine

CAT: 0931-T68772-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T68772-01Size:25 mg

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CAS Number

73791-37-4

Target

Others

Related Pathways

Others

Bioactivity

Ocoteine is an alpha 1-adrenoceptor antagonist.

Smiles

O(C)C=1C2=C3C(C=4C(CC3N(C)CC2)=CC(OC)=C(OC)C4)=C5C1OCO5

Molecular Formula

C21H23NO5

Molecular Weight

369.42

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ocoteine

Ocoteine has been reported in Ocotea puberula, Thalictrum isopyroides, and other organisms with data available.

CAS Number	73791-37-4
PubChem CID	52499
IUPAC Name	(12S)-7,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene
Molecular Formula	C21H23NO5
Molecular Weight	369.4
XLogP	3.2
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	547

SMILES

CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4C3=C5C(=C2OC)OCO5)OC)OC

InChI

InChI=1S/C21H23NO5/c1-22-6-5-12-17-14(22)7-11-8-15(23-2)16(24-3)9-13(11)18(17)20-21(19(12)25-4)27-10-26-20/h8-9,14H,5-7,10H2,1-4H3/t14-/m0/s1

InChIKey

XEZKWYLHAOYOCL-AWEZNQCLSA-N

Chemical Structure

2D Structure

CAS: 73791-37-4

CID: 52499

Formula: C21H23NO5

MW: 369.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	369.4
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	369.15762283
Monoisotopic Mass	369.15762283
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	547
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19211176-01	Ocoteine

Ocoteine

Chemical Information

Alternative Products

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