(+)-Claviculine
Basic information
- CAS
87035-67-4- Standard SMILES
COc1ccc2c(c1O)Oc1c(O)ccc3c1C(C2)N(C)CC3- InChIKey
ZBTOEEFERPMYTH-UHFFFAOYSA-N- Molecular formula
- C18H19NO4
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.13140809
Names & identifiers
- Preferred name
- (+)-Claviculine
- IUPAC
- 5-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaene-4,17-diol
Names & synonyms
(+)-ClaviculineNSC60731787035-67-4from Corydalis claviculataSCHEMBL25196049NSC-6073171H-[1]Benzoxepino[2,4-ij]isoquinoline-6,8-diol, 2,3,12,12a-tetrahydro-9-methoxy-1-methyl-, (S)-
Database identifiers
- CAS
87035-67-4- PubChem CID
- 354775
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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