기본 정보
- CAS
74045-97-9- 표준 SMILES
COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H]([C@@]1(C)CO1)O2- InChIKey
BBNDPXOGORGETN-AUUYWEPGSA-N- 분자식
- C19H16O6
- 평균 분자량
- 340.3 g/mol
- 단동위원소 질량
- 340.09468823
개요
Psorospermin is an organic heterotetracyclic compound that is 1,2-dihydro-6H-furo[2,3-c]xanthene substituted by a hydroxy group at position 10, a methoxy group at position 5 nad a 2-methyloxiran-2-yl group at position 2. It has a role as an antineoplastic agent and a plant metabolite. It is an epoxide, an organic heterotetracyclic compound and a member of xanthones.
이름 및 식별자
- 우선 이름
- (2R)-1,2-Dihydro-10-hydroxy-5-methoxy-2-((2R)-2-methyl-2-oxiranyl)-6H-furo(2,3-c)xanthen-6-one
- IUPAC
- (2R)-10-hydroxy-5-methoxy-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]xanthen-6-one
이름 및 동의어
Psorosperminpsorospermine74045-97-9(2R)-10-hydroxy-5-methoxy-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]xanthen-6-oneCHEBI:86176H-Furo(2,3-c)xanthen-6-one, 1,2-dihydro-10-hydroxy-5-methoxy-2-(2-methyloxiranyl)-(2R)-10-hydroxy-5-methoxy-2-((2R)-2-methyloxiran-2-yl)-1,2-dihydrofuro(2,3-c)xanthen-6-oneRefChem:905820(2R)-1,2-Dihydro-10-hydroxy-5-methoxy-2-((2R)-2-methyl-2-oxiranyl)-6H-furo(2,3-c)xanthen-6-oneCHEMBL369474C10090(2r)-10-hydroxy-5-methoxy-2-[(2r)-2-methyloxiran-2-yl]-1,2-dihydro-6h-furo[2,3-c]xanthen-6-one
이름 더 보기
AC1L2QCNDTXSID60995463SCHEMBL12312454Q2710811410-Hydroxy-5-methoxy-2-(2-methyloxiran-2-yl)-1,2-dihydro-6H-furo[2,3-c]xanthen-6-one
데이터베이스 식별자
- CAS
74045-97-9- PubChem CID
- 126451
- DTXSID
DTXSID60995463- ChEMBL
CHEMBL369474- ChEBI
CHEBI:8617- Nikkaji
- J128.582C
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 77.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 566
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