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Antofine

CAT: 1299-RM-A252000-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A252000-01Size:10 mg
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CAS Number
32671-82-2
Synonyms
(R) -2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f, h]pyrrolo[1,2-b]isoquinoline
Molecular Formula
C23H25NO3
Molecular Weight
363.46
Product Name Synonym
(R) -2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f, h]pyrrolo[1,2-b]isoquinoline

Chemical Information

Antofine

(-)-antofine is an organic heteropentacyclic compound that is (13aR)-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline substituted at positions 2, 3 and 6 by methoxy groups. It is an alkaloid produced by relatives of the milkweed family and exhibits antiviral, anti-inflammatory, antiadipogenic and antitumorigenic activities. It has a role as an antiviral agent, an antimicrobial agent, an antineoplastic agent, a phytotoxin, an angiogenesis inhibitor, an anti-inflammatory agent and a plant metabolite. It is an alkaloid, an aromatic ether, an organic heteropentacyclic compound and an alkaloid antibiotic.

CAS Number32671-82-2
PubChem CID639288
IUPAC Name(13aR)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
Molecular FormulaC23H25NO3
Molecular Weight363.4
XLogP4.8
Topological Polar Surface Area30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity528
SMILES
COC1=CC2=C(C=C1)C3=C(C[C@H]4CCCN4C3)C5=CC(=C(C=C52)OC)OC
InChI
InChI=1S/C23H25NO3/c1-25-15-6-7-16-18(10-15)20-12-23(27-3)22(26-2)11-19(20)17-9-14-5-4-8-24(14)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3/t14-/m1/s1
InChIKey
NCVWJDISIZHFQS-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Antofine
CAS: 32671-82-2
CID: 639288
Formula: C23H25NO3
MW: 363.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.4
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass363.18344366
Monoisotopic Mass363.18344366
Topological Polar Surface Area30.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity528
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19217930-01(-) -Antofine
TBZ30112Antofine
MBS5825257(-)-Antofine

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