Colchiceinamid
PubChem CID: 18397
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| Compound Synonyms | Colchiceinamid, Colchiceinamide, Colchicine amide, Colchicamide, Colchicenamide, Colchicamid, 3123-89-5, Colchicide, 14-amino-, SKF 3192, COLCHICINE, 10-AMINO-10-DEMETHOXY-, N-[(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide, NSC403144, Acetamide,N-[(7S)-10-amino-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl]-, 14-Aminocolchicide, Colchicamide (VAN), Colchiceeinamide, Colchiceeinamide [German], N-[(7S)-10-amino-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, NSC 403144, BRN 2824077, MFCD25368469, 4-14-00-00921 (Beilstein Handbook Reference), Acetamide, N-(10-amino-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-, Colchicamide (colchiceinamide), CHEMBL357889, SCHEMBL12118701, DTXSID00185149, STL530408, AKOS030489333, NSC-403144, Acetamide,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl)-, (S)- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 99.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCCC2C(CCCC3CCCCC32)C1 |
| Np Classifier Class | Phenethylisoquinoline alkaloids |
| Deep Smiles | COccOC))ccc-ccccc=O)cc7[C@H]CC%12))NC=O)C)))))))N)))))c6OC |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Tropones |
| Scaffold Graph Node Level | OC1CCCC2C(CCCC3CCCCC32)C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 726.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | N-[(7S)-10-amino-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbon derivatives |
| Xlogp | 0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C21H24N2O5 |
| Scaffold Graph Node Bond Level | O=c1cccc2c(c1)CCCc1ccccc1-2 |
| Inchi Key | JWDFWIZNGSOUGC-INIZCTEOSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | colchicamide |
| Esol Class | Soluble |
| Functional Groups | CC(=O)NC, c=O, cN, cOC |
| Compound Name | Colchiceinamid |
| Exact Mass | 384.169 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.169 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 384.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C21H24N2O5/c1-11(24)23-16-8-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-7-15(22)17(25)10-14(13)16/h6-7,9-10,16H,5,8H2,1-4H3,(H2,22,25)(H,23,24)/t16-/m0/s1 |
| Smiles | CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N)OC)OC)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
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