structure of Zeorin

Zeorin

CAS No.: 22570-53-2
M. Wt: 444.733
M. Fa: C30H52O2
InChI Key: KYBLAIAGFNCVHL-PMVHANJISA-N

Names and Identifiers of Zeorin

CAS Number

22570-53-2

IUPAC Name

(3S,3aS,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-7-ol

InChI

InChI=1S/C30H52O2/c1-25(2)14-9-15-28(6)23-11-10-22-27(5)16-12-19(26(3,4)32)20(27)13-17-29(22,7)30(23,8)18-21(31)24(25)28/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,24-,27-,28+,29+,30+/m0/s1

InChIKey

KYBLAIAGFNCVHL-PMVHANJISA-N

Canonical SMILES

CC1(CCCC2(C1C(CC3(C2CCC4C3(CCC5C4(CCC5C(C)(C)O)C)C)C)O)C)C

Isomeric SMILES

C[C@]12CC[C@@H]([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(C[C@@H]([C@@H]5[C@@]4(CCCC5(C)C)C)O)C)C)C(C)(C)O

Physical and chemical properties of Zeorin

Acidity coefficient

14.98±0.70(Predicted)

Boiling Point

515.6±23.0 °C at 760 mmHg

Density

1.0±0.1 g/cm3

Exact Mass

444.396729

Flash Point

206.4±17.2 °C

Index of Refraction

1.521

LogP

9.10

Melting Point

253 °C

Molecular Formula

C30H52O2

Molecular Weight

444.733

PSA

40.46000

Vapour Pressure

0.0±3.0 mmHg at 25°C

Applications of Zeorin

Zeorin's unique biological properties lend it to various applications:

  • Pharmaceuticals: Due to its antimicrobial activity, it could be developed into new antibiotics or antifungal agents.
  • Allergy Treatments: Its ability to inhibit histamine release suggests potential use in managing allergic reactions.
  • Natural Products Research: As a compound derived from fungi and lichens, Zeorin may be of interest in studies related to natural product chemistry and bioprospecting for new drugs.

Interaction Studies of Zeorin

Interaction studies involving Zeorin have primarily focused on its effects on biological systems rather than direct interactions with other compounds. Its inhibition of histamine release indicates possible interactions with mast cell signaling pathways. Further research is warranted to explore its interactions with other pharmaceuticals or natural compounds, which could enhance its efficacy or reveal synergistic effects.

Biological Activity of Zeorin

Zeorin exhibits notable biological activities, particularly its antimicrobial properties. It demonstrates strong inhibition against bacteria and fungi, making it a candidate for use in treating infections caused by these pathogens. Additionally, Zeorin significantly inhibits histamine release from mast cells induced by DNP24-BSA, achieving up to a 40% reduction in histamine release. These properties suggest potential therapeutic applications in allergy treatments and antimicrobial therapies.

Retrosynthesis analysis of Zeorin

  • Route#1

    Cas:63-05-8
    Cas:22570-53-2