Molecule

Incarvillateine

AlkaPlorer ID: AK050782

Synonym: '(-)-Incarvillateine'

IUPAC Name: 3-O-[(4R,4aR,6S,7R,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] 1-O-[(4R,4aR,6R,7R,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] 2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylate

Structure

SMILES: COC1=CC([C@@H]2[C@@H](C(=O)O[C@H]3C[C@H]4[C@H](CN(C)C[C@@H]4C)[C@H]3C)[C@H](C3=CC=C(O)C(OC)=C3)[C@@H]2C(=O)O[C@@H]2C[C@H]3[C@H](CN(C)C[C@@H]3C)[C@H]2C)=CC=C1O

InChI: InChI=1S/C42H58N2O8/c1-21-17-43(5)19-29-23(3)33(15-27(21)29)51-41(47)39-37(25-9-11-31(45)35(13-25)49-7)40(38(39)26-10-12-32(46)36(14-26)50-8)42(48)52-34-16-28-22(2)18-44(6)20-30(28)24(34)4/h9-14,21-24,27-30,33-34,37-40,45-46H,15-20H2,1-8H3/t21-,22-,23+,24+,27+,28+,29+,30+,33-,34+,37-,38+,39-,40-/m0/s1

InChIKey: VQKTZIKAARDZIA-JZQQLPCBSA-N

Reference

Two new aliphatic lactones from the fruits of Coriandrum sativum L.

SuperNatural Ⅲ: SN0397305-02

NPASS: NPC235490

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aleurodiscus amorphus	Aleurodiscus	Stereaceae	Russulales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Koenigia divaricata	Koenigia	Polygonaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Arachniodes standishii	Arachniodes	Dryopteridaceae	Polypodiales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
Picrasma excelsa	Picrasma	Simaroubaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Godmania aesculifolia	Godmania	Bignoniaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Xylaria polymorpha	Xylaria	Xylariaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Mucuna birdwoodiana	Mucuna	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Calibrachoa parviflora	Calibrachoa	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Frasera speciosa	Frasera	Gentianaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Holostylis reniformis	Holostylis	Aristolochiaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Enkianthus cernuus	Enkianthus	Ericaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dichapetalum gelonioides	Dichapetalum	Dichapetalaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hyalodendriella betulae	Hyalodendriella	Hamatocanthoscyphaceae	Helotiales	Leotiomycetes	Ascomycota	Fungi	Eukaryota
Comanthosphace japonica	Comanthosphace	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aspergillus stellatus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Lavandula stoechas	Lavandula	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Incarvillea sinensis	Incarvillea	Bignoniaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Acacia ehrenbergiana	Acacia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rohdea japonica	Rohdea	Asparagaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 718.932

TPSA？: 118.0

MolLogP？: 5.759400000000007

Number of H-Donors: 2

Number of H-Acceptors: 10

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi