Molecule

Neotrilobine

AlkaPlorer ID: AK062028

Synonym: '(-)-Neotrilobine'

IUPAC Name: (5S)-5-[(4-hydroxyphenyl)methyl]-11-methoxy-6-methyl-2,13-dioxa-6,19-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3,9,11,15,21-hexaen-20-one

Structure

SMILES: COC1=C2OC3=CC4=C(C=C3OC2=C2C(=C1)CCN(C)[C@H]2CC1=CC=C(O)C=C1)C(O)=NCC4

InChI: InChI=1S/C27H26N2O5/c1-29-10-8-17-13-23(32-2)25-26(24(17)20(29)11-15-3-5-18(30)6-4-15)34-22-14-19-16(12-21(22)33-25)7-9-28-27(19)31/h3-6,12-14,20,30H,7-11H2,1-2H3,(H,28,31)/t20-/m0/s1

InChIKey: YOBFMHSMJZZTDC-FQEVSTJZSA-N

Reference

PubChem CID: 154497085

SuperNatural Ⅲ: SN0455678-01

NPASS: NPC6172

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Rhododendron capitatum	Rhododendron	Ericaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Glycyrrhiza inflata	Glycyrrhiza	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pyrus x nivalis	Pyrus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Crossopteryx febrifuga	Crossopteryx	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rhodiola atuntsuensis	Rhodiola	Crassulaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Passiflora suberosa	Passiflora	Passifloraceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Chionographis japonica	Chionographis	Melanthiaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 458.5140000000002

TPSA？: 83.75

MolLogP？: 4.931200000000005

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi