Cas no 5956-87-6 (Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one,8,13,13b,14-tetrahydro-14-methyl- (6CI,9CI))
5956-87-6 structure
Product Name:Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one,8,13,13b,14-tetrahydro-14-methyl- (6CI,9CI)
CAS No:5956-87-6
MF:C19H17N3O
MW:303.357784032822
CID:369721
PubChem ID:151289
Update Time:2025-04-19
Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one,8,13,13b,14-tetrahydro-14-methyl- (6CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one,8,13,13b,14-tetrahydro-14-methyl- (6CI,9CI)
- 14-methyl-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-one
- 14-methyl-8,13,13b,14-tetrahydro-7H-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5-one
- EVODIAMINE
- Evodiamine, (+)-
- Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetra
- Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (13bS)-
- N14-methyl-7,8,13,13b-tetrahydroindolo-[2',3':3,4]pyrido[2,1-b]quinazolin-5-one
- (+/-)-Evodiamine
- AC-24421
- s2382
- Q5418554
- HY-N0114A
- 518-18-3
- Evodiamine (Isoevodiamine)
- Isoevodiamine
- CHEBI:95196
- NSC-258314
- 21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20] henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
- ( inverted exclamation markA)-Evodiamine
- Oprea1_236793
- AKOS015894237
- DTXSID401347170
- NS00018360
- T72558
- (1S)-21-methyl-3,13,21-triazapentacyclo[11.8.0.0^{2,10.0^{4,9.0^{15,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
- CHEMBL81925
- 5956-87-6
- NCGC00163553-02
- Evodiamine;
- SureCN682158
- CS-0173730
- NSC258314
- LSM-6483
- 8,13,13b,14-tetrahydro-14-methylindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7h)-one
- BDBM50016250
- NCGC00163553-03
- E1012
- MFCD06407824
- AC1L9C8E
- 21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
- (?)-Evodiamine
- NCGC00163553-01
- Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-
- BRD-A68631409-001-01-3
- SR-05000002159-2
- SR-05000002159
- AS-15078
- XE178590
- BCP9000671
- CCG-208627
- FT-0651829
- Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one,8,13,13b,14-tetrahydro-14-methyl-, (13bS)-
- Evodiamine, Evodia rutaecarpa
- PubChem18244
- MFCD00016673
- SCHEMBL139349
-
- Inchi: 1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3
- InChI Key: TXDUTHBFYKGSAH-UHFFFAOYSA-N
- SMILES: O=C1C2C=CC=CC=2N(C)C2C3=C(C4C=CC=CC=4N3)CCN21
Computed Properties
- Exact Mass: 303.137162174g/mol
- Monoisotopic Mass: 303.137162174g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 495
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 39.3?2
Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one,8,13,13b,14-tetrahydro-14-methyl- (6CI,9CI) Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Beta carbolines
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Pyridoindoles Beta carbolines
- Natural Products and Extracts Plant Extracts Plant based Spiranthera odoratissima
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