Phyto4Health

Lecanindole D

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL1076438
PubChem: 44605900
IUPAC: (1S,12S,15S,17R,20R)-1,16,16,20-tetramethyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraene-15,17-diol
Standard InChI: InChI=1S/C23H31NO2/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/h5-8,14,18,24-26H,9-13H2,1-4H3/t14-,18+,21+,22+,23+/m0/s1
Standard InChI Key: QJRNEHJGTLWRJJ-BVYMYZFFSA-N
SMILES: O[C@@H]1CC[C@]2([C@@](C1(C)C)(O)CC[C@@H]1[C@]2(C)c2[nH]c3c(c2C1)cccc3)C

Molecular propeties

AlogP: 4.31
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 3
Rotatable bonds: 0
Number of rings: 5
Molecular Weight: 353.24
Topological polar surface area: 56.2
Number of aromatic rings: 2
Fsp3: 0.652
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.
EC501.1 nMProgesterone receptorP06401
IC5057.3 nMProgesterone receptorP06401
IC505.5 nMProgesterone receptorP06401
Others10 Progesterone receptorP06401
Others10 Progesterone receptorP06401