Molecule

UNPD129319

AlkaPlorer ID: AK173814

Synonym: None

IUPAC Name: (3R)-5-[(1R,4aR,8aR)-2-hydroxyimino-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid

Structure

SMILES: C[C@H](CC[C@H]1C(=NO)CC[C@@H]2C(C)(C)CCC[C@]21C)CC(=O)O

InChI: InChI=1S/C19H33NO3/c1-13(12-17(21)22)6-7-14-15(20-23)8-9-16-18(2,3)10-5-11-19(14,16)4/h13-14,16,23H,5-12H2,1-4H3,(H,21,22)/t13-,14+,16-,19+/m1/s1

InChIKey: DHAJYQBEQORBKS-DZASIIFFSA-N

Reference

PubChem CID: 162910045

NPASS: NPC291997

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Phyllanthus niruri	Phyllanthus	Phyllanthaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dodonaea lobulata	Dodonaea	Sapindaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ophiostoma minus	Ophiostoma	Ophiostomataceae	Ophiostomatales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Heliopsis helianthoides	Heliopsis	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Penicillium corylophilum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Actinidia polygama	Actinidia	Actinidiaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 323.47700000000003

TPSA？: 69.89

MolLogP？: 4.950200000000004

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi