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Herboxidiene

CAT: 0931-T36749-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0931-T36749-01Size:500 µg
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CAS Number
142861-00-5
Target
DNA/RNA Synthesis
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Bioactivity
Herboxidiene (GEX1A) is a plant-toxic polyketide compound isolated from Streptomyces ATCC 49982, with herbicidal, cholesterol-lowering, and anticancer activities. It exhibits anti-angiogenic activity by downregulating vascular endothelial growth factor receptor-2 (VEGFR-2) and hypoxia-inducible factor-1α (HIF-1α) .
Smiles
[C@H]([C@H]([C@@H](C)O)OC)(C)[C@@]1([C@](C[C@@H](/C=C/C=C(\C)/[C@H]2O[C@@H](CC(O)=O)CC[C@@H]2C)C)(C)O1)[H]
Molecular Formula
C25H42O6
Molecular Weight
438.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Herboxidiene

herboxidiene has been reported in Streptomyces chromofuscus with data available.

CAS Number142861-00-5
PubChem CID6438496
IUPAC Name2-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-4-hydroxy-3-methoxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]acetic acid
Molecular FormulaC25H42O6
Molecular Weight438.6
XLogP4.1
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity658
SMILES
C[C@H]1CC[C@@H](O[C@@H]1/C(=C/C=C/[C@@H](C)C[C@@]2([C@H](O2)[C@H](C)[C@H]([C@@H](C)O)OC)C)/C)CC(=O)O
InChI
InChI=1S/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)/b9-8+,16-10+/t15-,17+,18-,19-,20-,22-,23-,24-,25-/m1/s1
InChIKey
ISZXEMUWHQLLTC-LSIVYLFASA-N
Chemical Structure
2D Structure
2D structure of Herboxidiene
CAS: 142861-00-5
CID: 6438496
Formula: C25H42O6
MW: 438.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.6
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass438.29813906
Monoisotopic Mass438.29813906
Topological Polar Surface Area88.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity658
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
112102Herboxidiene

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