Basic information
- CAS
5890-28-8- Standard SMILES
COc1cc2c(cc1O)CC1c3c(cc4c(c3-2)OCO4)CCN1C- InChIKey
MPWZJVCAMFAIGV-UHFFFAOYSA-N- Molecular formula
- C19H19NO4
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.13140809
Overview
(+)-Cassythicine has been reported in Stephania tetrandra, Litsea lancifolia, and other organisms with data available.
Names & identifiers
- Preferred name
- N-Methylactinodaphnine
- IUPAC
- 17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol
- English name
- (+)-Cassythicine
- Molecular formula
- C19H19NO4
- Molecular weight
- 325.36
Names & synonyms
N-Methylactinodaphnine17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,14,16,18-hexaen-16-olN-Methyl-actinodaphnineRefChem:163788(+)-CassythicineC09389CHEMBL464528AC1L9CEZFAA89028MFCD172148071,2-methylenedioxy-9-hydroxy-10-methoxyaporphine
Show more names
(+)-N-Methylactinodaphnine5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-10-ol, 6,7,7a,8-tetrahydro-11-methoxy-7-methyl-, (7aS)-5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-10-ol,6,7,7a,8-tetrahydro-11-methoxy-7-methyl-, (7aS)- (9CI)
9-Hydroxy-10-methoxy-1,2-methylenedioxyaporphineAE-508/21134003
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 488
Experimental & physicochemical properties
Melting Point210 - 212 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses(+)-N-Methylactinodaphnine have strong inhibiton of collagen-induced platelet aggregation.
Suppliers21 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [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
Related reactions
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Compound notes
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