Molecule

Plakinamine A

AlkaPlorer ID: AK099541

Synonym: '', '93474-13-6'

IUPAC Name: (3R,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-1-(4-propan-2-ylidene-2,3-dihydropyrrol-5-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine

Structure

SMILES: CC(C)=C1CCN=C1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@]12C

InChI: InChI=1S/C29H46N2/c1-18(2)22-12-15-31-27(22)16-19(3)24-8-9-25-23-7-6-20-17-21(30)10-13-28(20,4)26(23)11-14-29(24,25)5/h7,19-21,24-26H,6,8-17,30H2,1-5H3/t19-,20+,21-,24-,25+,26+,28+,29-/m1/s1

InChIKey: CWYDWJDPKSMUPT-MADLDNGBSA-N

Reference

Two steroidal alkaloids from a marine sponge, Plakina sp

PubChem CID: 21606893

CAS: 93474-13-6

LOTUS: LTS0055794

SuperNatural Ⅲ: SN0057839-01

NPASS: NPC237089

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Daniellia oliveri	Daniellia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Corydalis solida	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Picea sitchensis	Picea	Pinaceae	Pinales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Physocarpus opulifolius	Physocarpus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Abies forrestii	Abies	Pinaceae	Pinales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 422.7010000000003

TPSA？: 38.38

MolLogP？: 7.100000000000008

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi