Periplogenin - 10mM in DMSO , CAS No.514-39-6

CAS: 514-39-6 Cat. No.: P424420 분자식: C₂₃H₃₄O₅ 분자량: 390.51 PubChem CID: 10574

GRADE & PURITY 10mM in DMSO

Synonyms

3-beta,5,14-Trihydroxy-5-beta-card-20(22)-enolide | Card-20(22)-enolide, 3,5,14-trihydroxy-, (3-beta,5-beta)- | Periplogenin | CCG-268535 | 3,5,14-Trihydroxycard-20(22)-enolide | s9168 | AKOS015897157 | UNII-B6808P7IY9 | HY-N2414 | (3.BETA.,5.BETA.)-3,5,1

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Information

Periplogenin (Desoxostrophanthidin, 5-beta-Hydroxydigitoxigenin), isolated from Lagenaria siceraria, has potent anti-psoriatic effects in vitro and in vivo.

Specifications

동의어

3-beta,5,14-Trihydroxy-5-beta-card-20(22)-enolide | Card-20(22)-enolide, 3,5,14-trihydroxy-, (3-beta,5-beta)- | Periplogenin | CCG-268535 | 3,5,14-Trihydroxycard-20(22)-enolide | s9168 | AKOS015897157 | UNII-B6808P7IY9 | HY-N2414 | (3.BETA.,5.BETA.)-3,5,1

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

Periplogenin (Desoxostrophanthidin, 5-beta-Hydroxydigitoxigenin), isolated from Lagenaria siceraria, has potent anti-psoriatic effects in vitro and in vivo.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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제품 특성

ALogP

2.173

HBD 수

1

회전 가능한 결합

1

이름과 식별자

Pubchem Sid

528766749

정식 스마일

CC12CCC(CC1(CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O)O

IUPAC Name

3-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

InChIKey

QJPCKAJTLHDNCS-FBAXFMHRSA-N

INCHI

1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,20+,21+,22-,23-/m0/s1

이성체 SMILES

C[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O

PubChem CID

10574

분자량

390.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Steroids and steroid derivatives
      • Subclass Steroid lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Steroids and steroid derivatives
• Subclass: Steroid lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Cardenolides and derivatives
• Alternative Parents: 3-beta-hydroxysteroids 14-hydroxysteroids Butenolides Tertiary alcohols Enoate esters Secondary alcohols Lactones Cyclic alcohols and derivatives Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Cardanolide-skeleton - 3-hydroxysteroid - 3-beta-hydroxysteroid - 14-hydroxysteroid - 5-hydroxysteroid - Hydroxysteroid - 2-furanone - Cyclic alcohol - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Lactone - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as cardenolides and derivatives. These are steroid lactones containing a furan-2-one moiety linked to the C17 atom of a cyclopenta[a]phenanthrene derivative.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

작용 메커니즘

화학 및 물리적 특성

• DMSO(mg/mL) 최대 용해도: 78
• DMSO(mM) 최대 용해도: 199.737237981234
• 분자량: 390.500 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 390.241 Da
• Monoisotopic Mass: 390.241 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 733.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1