기본 정보
- CAS
28645-27-4- 표준 SMILES
C[C@H]1C(=O)[C@@]23C[C@@]14C=CCN1CC[C@@]2(c2ccccc2NC3=O)[C@@H]14- InChIKey
RVVXEECWQBKQNP-DJKGFLTMSA-N- 분자식
- C20H20N2O2
- 평균 분자량
- 320.4 g/mol
개요
(1S,10S,12R,13R,20S)-9-hydroxy-12-methyl-8,17-diazahexacyclo[11.6.1.1¹⁰,¹³.0¹,¹⁰.0²,⁷.0¹⁷,²⁰]henicosa-2,4,6,8,14-pentaen-11-one has been reported in Melodinus fusiformis with data available.
이름 및 식별자
- 우선 이름
- Meloscandonine
- IUPAC
- (1S,10R,12R,13R,20S)-12-methyl-8,17-diazahexacyclo[11.6.1.110,13.01,10.02,7.017,20]henicosa-2,4,6,14-tetraene-9,11-dione
- 영어명
- (12aβ,14aS)-13,14-Dihydro-8α-methyl-6aα,8aα-methano-11H,12aH-benzo[k]pyrrolo[3,2,1-mn][1,8]phenanthroline-6,7(5H,8H)-dione
- 분자식
- C20H20N2O2
- 분자량
- 320.39
이름 및 동의어
Meloscandonine28645-27-4(1S,10R,12R,13R,20S)-12-methyl-8,17-diazahexacyclo[11.6.1.110,13.01,10.02,7.017,20]henicosa-2,4,6,14-tetraene-9,11-dione(1S,10R,12R,13R,20S)-12-methyl-8,17-diazahexacyclo(11.6.1.110,13.01,10.02,7.017,20)henicosa-2,4,6,14-tetraene-9,11-dioneRefChem:156425CHEMBL4753928AKOS032962278FS-9718CS-00238456a,8a-Methano-11H,12aH-benzo[k]pyrrolo[3,2,1-mn][1,8]phenanthroline-6,7(5H,8H)-dione, 13,14-dihydro-8-methyl-, [6aR-(6a,8,8a,14aS*,14b)]-; [6aR-(6a,8,8a,14aS*,14b)]-13,14-Dihydro-8-methyl-6a,8a-methano-11H,12aH-benzo[k]pyrrolo[3,2,1-mn][1,8]phenanthroline-6,7(5H,8H)-dione(12aβ,14aS)-13,14-Dihydro-8α-methyl-6aα,8aα-methano-11H,12aH-benzo[k]pyrrolo[3,2,1-mn][1,8]phenanthroline-6,7(5H,8H)-dione6a,8a-Methano-11H,12aH-benzo[k]pyrrolo[3,2,1-mn][1,8]phenanthroline-6,7(5H,8H)-dione, 13,14-dihydro-8-methyl-, (6aR,8R,8aR,14aS,14bS)-
데이터베이스 식별자
- CAS
28645-27-4- ChEMBL
CHEMBL4753928
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 49.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 702
물리화학적 성질
- 끓는 점
- 578.3 · 578.3±50.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.55 · 12.55±0.40(Predicted)
화학 및 산업
공급사23 곳
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
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