Phyto4Health

Lecanindole B

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL1087512
PubChem: 44605898
IUPAC: (1S,12S,15S,20R)-15-hydroxy-1,16,16,20-tetramethyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-17-one
Standard InChI: InChI=1S/C23H29NO2/c1-20(2)18(25)10-11-21(3)22(4)14(9-12-23(20,21)26)13-16-15-7-5-6-8-17(15)24-19(16)22/h5-8,14,24,26H,9-13H2,1-4H3/t14-,21+,22+,23+/m0/s1
Standard InChI Key: JQTRPSHLFTZYHC-SESVXGAZSA-N
SMILES: O=C1CC[C@]2([C@@](C1(C)C)(O)CC[C@@H]1[C@]2(C)c2[nH]c3c(c2C1)cccc3)C

Molecular propeties

AlogP: 4.52
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 0
Number of rings: 5
Molecular Weight: 351.22
Topological polar surface area: 53.1
Number of aromatic rings: 2
Fsp3: 0.609
Number of carbons: 23

Plant sources

Part of plant Plant name Ref.
PlantPetroselinum crispum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
EC500.3 nMProgesterone receptorP06401