Condaline A
AlkaPlorer ID: AK022178
Synonym: 'Condaline'
IUPAC Name: (2S)-N-[(3R,4S,7S,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(methylamino)-3-phenylpropanamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H](N=C(O)[C@H](CC2=CC=CC=C2)NC)[C@@H](C2=CC=CC=C2)OC2=CC=C(/C=C\N=C1O)C=C2
InChI: InChI=1S/C33H38N4O4/c1-4-22(2)28-32(39)35-20-19-23-15-17-26(18-16-23)41-30(25-13-9-6-10-14-25)29(33(40)36-28)37-31(38)27(34-3)21-24-11-7-5-8-12-24/h5-20,22,27-30,34H,4,21H2,1-3H3,(H,35,39)(H,36,40)(H,37,38)/b20-19-/t22-,27-,28-,29-,30+/m0/s1
InChIKey: JDFUVCMEHULMNF-RMWVGYOZSA-N
Reference
Antibacterial cyclopeptide alkaloids from the bark of Condalia buxifolia
PubChem CID: 22297439
LOTUS: LTS0139702
SuperNatural Ⅲ: SN0162328-08
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scutia buxifolia | Scutia | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 554.6910000000003
TPSA？: 119.03000000000002
MolLogP？: 6.274500000000005
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|