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Lacinilene C

CAT: 0931-TN5330Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5330Size:5 mg
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CAS Number
41653-72-9
Bioactivity
Lacinilene C, lacinilene C 7-methyl ether, scopoletin, 2-hydroxy-7-methoxycadalene and 2,7-dihydroxycadalene are 5 induced phytoalexins in cotton leaves. Lacinilene C methyl ether elicits contraction of TSM by enhancing the movement of calcium through potential-dependent channels of smooth muscle cell membranes.
Smiles
CC(C)C1=CC(=O)[C@](C)(O)c2cc(O)c(C)cc12
Molecular Formula
C15H18O3
Molecular Weight
246.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1R)-1,7-Dihydroxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone

Lacinilene C is a sesquiterpenoid.

CAS Number41653-72-9
PubChem CID170551
IUPAC Name(1R)-1,7-dihydroxy-1,6-dimethyl-4-propan-2-ylnaphthalen-2-one
Molecular FormulaC15H18O3
Molecular Weight246.30
XLogP2.2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity385
SMILES
CC1=CC2=C(C=C1O)[C@@](C(=O)C=C2C(C)C)(C)O
InChI
InChI=1S/C15H18O3/c1-8(2)10-6-14(17)15(4,18)12-7-13(16)9(3)5-11(10)12/h5-8,16,18H,1-4H3/t15-/m1/s1
InChIKey
JLCJSBOHWRDWQW-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of (1R)-1,7-Dihydroxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone
CAS: 41653-72-9
CID: 170551
Formula: C15H18O3
MW: 246.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight246.30
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass246.125594432
Monoisotopic Mass246.125594432
Topological Polar Surface Area57.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity385
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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