Molecule

Echinophyllin F

AlkaPlorer ID: AK123313

Synonym: '(-)-Echinophyllin F', 'echinophyllin F'

IUPAC Name: (4aS,5R,6S,8aS)-5,6,8a-trimethyl-5-[2-(5-oxo-1,2-dihydropyrrol-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

Structure

SMILES: C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CC(O)=NC1

InChI: InChI=1S/C20H29NO3/c1-13-7-9-20(3)15(18(23)24)5-4-6-16(20)19(13,2)10-8-14-11-17(22)21-12-14/h5,11,13,16H,4,6-10,12H2,1-3H3,(H,21,22)(H,23,24)/t13-,16-,19+,20+/m0/s1

InChIKey: VQRQNLURKYFYFP-DYLQCGAMSA-N

Reference

Echinophyllins C−F, New Nitrogen-Containing Clerodane Diterpenoids from Echinodorus macrophyllus

PubChem CID: 163031969

LOTUS: LTS0197255

SuperNatural Ⅲ: SN0397514-02

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Echinodorus macrophyllus	Echinodorus	Alismataceae	Alismatales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 331.456

TPSA？: 69.89

MolLogP？: 4.526600000000003

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi