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name Structure Reference Source Properties Activities Metabolism

(3R)-1-[(1R,2S,5S,7R,10S,11R,14S,15S)-14-[(1S)-1-(dimethylamino)ethyl]-2,15-dimethyl-6-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]-3-isopropylazetidin-2-one

AlkaPlorer ID: AK015830

Synonym: None

IUPAC Name: (3R)-1-[(3S,5R,8S,9S,10R,13S,14S,17R)-17-[1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-3-propan-2-ylazetidin-2-one

Structure

SMILES: CC(C)[C@@H]1CN([C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](C(C)N(C)C)CC[C@@H]43)C2=O)C1=O

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InChI: InChI=1S/C29H48N2O2/c1-17(2)20-16-31(27(20)33)25-13-15-29(5)23-12-14-28(4)21(18(3)30(6)7)10-11-22(28)19(23)8-9-24(29)26(25)32/h17-25H,8-16H2,1-7H3/t18?,19-,20-,21-,22-,23-,24-,25-,28+,29+/m0/s1

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InChIKey: MHFGHEARXPBTQH-PTKYFECBSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pachysandra terminalis Pachysandra Buxaceae Buxales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 456.71500000000026

TPSA？: 40.620000000000005

MolLogP？: 5.257400000000006

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information