Cardiopine
AlkaPlorer ID: AK345632
Synonym: None
IUPAC Name: [(1R,2S,3S,4S,5S,8R,9S,11R,14R,16S,17R,18R,19S)-2,19-diacetyloxy-4-hydroxy-5-methyl-3-(2-methylbutanoyloxy)-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-yl] benzoate
Structure
SMILES: C=C1C[C@]23C[C@H]4[C@@H]5[C@@]6(C)CN4[C@@H]4[C@H]2C(OC(=O)C2=CC=CC=C2)[C@H]1[C@@H](OC(C)=O)[C@H]3[C@]54[C@H](OC(C)=O)[C@@H](OC(=O)C(C)CC)[C@H]6O
InChI: InChI=1S/C36H43NO9/c1-7-16(2)32(41)46-26-30(40)34(6)15-37-21-14-35-13-17(3)22-24(45-33(42)20-11-9-8-10-12-20)23(35)29(37)36(27(21)34,31(26)44-19(5)39)28(35)25(22)43-18(4)38/h8-12,16,21-31,40H,3,7,13-15H2,1-2,4-6H3/t16?,21-,22-,23+,24?,25+,26-,27+,28+,29+,30+,31+,34+,35-,36+/m0/s1
InChIKey: BNZPSEZCTSCFIK-UHHQYKIASA-N
Reference
Five diterpenoid alkaloids from Delphinium cardiopetalum
PubChem CID: 101690747
LOTUS: LTS0231969
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Daphniidae | Diplostraca | Branchiopoda | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 633.7380000000002
TPSA？: 128.67
MolLogP？: 3.3089000000000017
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|