기본 정보
- CAS
56617-66-4- 표준 SMILES
C[C@@]12c3ccc4c(c3C(=O)c3occ(c31)[C@@H](O)C[C@H]2O)CCC4=O- InChIKey
OSSCBUARECIOCW-KSMMKXTCSA-N- 분자식
- C19H16O5
- 평균 분자량
- 324.3 g/mol
- 단동위원소 질량
- 324.09977361
개요
Demethoxyviridiol is a member of phenanthrenes.
이름 및 식별자
- 우선 이름
- Demethoxyviridiol
- IUPAC
- (1R,16S,18R)-16,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11-dione
- 영어명
- 1β,3β-Dihydroxy-18-norandrost-5-eno[6,5,4-bc]furan-8,11,13-triene-7,17-dione
- 분자식
- C19H16O5
- 분자량
- 324.33
이름 및 동의어
Demethoxyviridiol56617-66-4UNII-WK38ZDT69BWK38ZDT69B(1R,16S,18R)-16,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11-dioneCyclopenta(7,8)phenanthro(10,1-bc)furan-6,9-dione, 1,2,3,7,8,11b-hexahydro-1,3-dihydroxy-11b-methyl-, (1R-(1-alpha,3-alpha,11b-alpha))-(1R,16S,18R)-16,18-dihydroxy-1-methyl-13-oxapentacyclo(10.6.1.02,10.05,9.015,19)nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11-dioneRefChem:131729NSC658705orb1737696SCHEMBL12464245DTXSID20972058
이름 더 보기
Desmethoxyviridiol1β,3β-Dihydroxy-18-norandrost-5-eno[6,5,4-bc]furan-8,11,13-triene-7,17-dione(1R)-1,2,3,7,8,11b-Hexahydro-1α,3α-dihydroxy-11bα-methylcyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dione(1R)-1,2,3,6,7,8,9,11b-Octahydro-1,3α-dihydroxy-11bα-methylcyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dioneCyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dione, 1,2,3,7,8,11b-hexahydro-1,3-dihydroxy-11b-methyl-, (1R,3S,11bR)-
CHEBI:2195221,3-Dihydroxy-11b-methyl-1,2,3,7,8,11b-hexahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dioneMFCD01939543NSC-6587051beta,3beta-Dihydroxy-18-norandrost-5-eno[6,5,4-bc]furan-8,11,13-triene-7,17-dione(1R,3S,11bR)-1,2,3,7,8,11b-hexahydro-1,3-dihydroxy-11b-methyl-cyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dioneHY-135526CS-0113388
데이터베이스 식별자
- CAS
56617-66-4- PubChem CID
- 171531
- DTXSID
DTXSID20972058- ChEBI
CHEBI:219522- UNII
- WK38ZDT69B
- Nikkaji
- J15.163G
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 87.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 603
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 0 · Soluble in DMSO:0.0(Max Conc. mg/mL);0.0(Max Conc. mM)
- 물리적 상태
- 고체
- LogP
- 0.537 · 0.537 (est)
화학 및 산업
응용 분야
용도Demethoxyviridiol is a fungal metabolite belonging to the wortmannin and viridin classes. An inhibitor of phosphatidylinositol 3-kinase, demethoxyviridiol affects phospholipid signalling and proliferation of Swiss 3T3 cells.
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