Molecule

Pullularin E

AlkaPlorer ID: AK086206

Synonym: None

IUPAC Name: (6S,9S,12S,15S,18S)-3-benzyl-12-[(2S)-butan-2-yl]-6,7,13,15-tetramethyl-9-[[4-(3-methylbut-3-enoxy)phenyl]methyl]-4-oxa-1,7,10,13,16-pentazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone

Structure

SMILES: C=C(C)CCOC1=CC=C(C[C@@H]2N=C(O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](C)N=C(O)[C@@H]3CCCN3C(=O)C(CC3=CC=CC=C3)OC(=O)[C@H](C)N(C)C2=O)C=C1

InChI: InChI=1S/C42H57N5O8/c1-9-27(4)36-38(49)44-33(24-31-17-19-32(20-18-31)54-23-21-26(2)3)40(51)45(7)29(6)42(53)55-35(25-30-14-11-10-12-15-30)41(52)47-22-13-16-34(47)37(48)43-28(5)39(50)46(36)8/h10-12,14-15,17-20,27-29,33-36H,2,9,13,16,21-25H2,1,3-8H3,(H,43,48)(H,44,49)/t27-,28-,29-,33-,34-,35?,36-/m0/s1

InChIKey: SDUUWTNLMDCMFD-ZOPCHVBZSA-N

Reference

Pullularins E and F, Two New Peptides from the Endophytic Fungus Bionectria ochroleuca Isolated from the Mangrove Plant Sonneratia caseolaris

PubChem CID: 139586396

LOTUS: LTS0224385

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NPAtlas: NPA011846

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Sonneratia caseolaris	Sonneratia	Lythraceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 759.9450000000003

TPSA？: 161.64

MolLogP？: 5.123300000000005

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi