Noracronycine
PubChem CID: 5320199
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| Compound Synonyms | Noracronycine, Noracronine, 13161-79-0, 6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one, O4TQA37UF4, NORACRONYCIN, 6-NORACRONYCINE, 6-NORACRONINE, NSC103005, O-DEMETHYLACRONYCINE, UNII-O4TQA37UF4, NSC 103005, NSC-103005, 3,12-Dihydro-6-hydroxy-3,3,12-trimethyl-7H-pyrano(2,3-c)acridin-7-one, DTXSID50157139, 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-hydroxy-3,3,12-trimethyl-, 6-hydroxy-3,3,12-trimethylpyrano(2,3-c)acridin-7-one, CHEMBL509922, SCHEMBL7475179, DTXCID5079630, CHEBI:201861, HY-N8465, NCI60_000082, CS-0144577, 6-hydroxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one, 6-hydroxy-3,3,12-trimethyl-3,12-dihydro-7h-pyrano[2,3-c]acridin-7-one, 3,12-Dihydro-6-hydroxy-3,3,12-trimethyl-7H-pyrano(2,3-c)acridin-7- -one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2C3CCCCC3CCC12 |
| Np Classifier Class | Acridone alkaloids |
| Deep Smiles | OcccOCC)C)C=Cc6cc%10c=O)ccn6C))cccc6 |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1C2CCCCC2NC2C3CCCOC3CCC12 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 529.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C19H17NO3 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2[nH]c2c3c(ccc12)OCC=C3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CBXBWBNEFPNSDO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.142 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.44 |
| Synonyms | nor-acronycine, noracronycine |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cC=CC, cO, cOC, cn(c)C |
| Compound Name | Noracronycine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 307.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 307.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 307.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -5.509848982608696 |
| Inchi | InChI=1S/C19H17NO3/c1-19(2)9-8-12-15(23-19)10-14(21)16-17(12)20(3)13-7-5-4-6-11(13)18(16)22/h4-10,21H,1-3H3 |
| Smiles | CC1(C=CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)C |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Boenninghausenia Albiflora (Plant) Rel Props:Reference:ISBN:9788185042084; ISBN:9788185042114 - 2. Outgoing r'ship
FOUND_INto/from Glycosmis Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Glycosmis Mauritiana (Plant) Rel Props:Reference:ISBN:9788185042145 - 4. Outgoing r'ship
FOUND_INto/from Glycosmis Pentaphylla (Plant) Rel Props:Reference:ISBN:9788172360818 - 5. Outgoing r'ship
FOUND_INto/from Juniperus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all