11-O-methylelaiophylin

ID: ALA3086649

PubChem CID: 10558006

Max Phase: Preclinical

Molecular Formula: C55H90O18

Molecular Weight: 1039.31

Molecule Type: Unknown

Associated Items:

Bioactivity Summary Target Summary Assay Summary

This compound is not in our inventory system

Names and Identifiers

Canonical SMILES: CC[C@@H]1[C@@H](C)O[C@@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]3(O)C[C@@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](CC)[C@@H](C)O3)OC(=O)/C=C/C=C/[C@@H]2C)C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1

Standard InChI: InChI=1S/C55H90O18/c1-14-38-34(9)72-54(64,26-42(38)68-46-24-40(56)50(62)36(11)66-46)32(7)48(60)30(5)52-28(3)20-16-18-23-45(59)71-53(29(4)21-17-19-22-44(58)70-52)31(6)49(61)33(8)55(65-13)27-43(39(15-2)35(10)73-55)69-47-25-41(57)51(63)37(12)67-47/h16-23,28-43,46-53,56-57,60-64H,14-15,24-27H2,1-13H3/b20-16+,21-17+,22-19+,23-18+/t28-,29-,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,40-,41-,42+,43+,46-,47-,48+,49+,50+,51+,52-,53-,54+,55+/m0/s1

Standard InChI Key: IQUQYYTZXBLSTO-ZQQRVOIPSA-N

Molfile:

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M  END

Associated Targets(non-human)

Morganella morganii (1291 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Escherichia coli (133304 Activities)

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Enterococcus faecalis (29875 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Micrococcus luteus (7463 Activities)

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Enterococcus faecium (13803 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Staphylococcus aureus (210822 Activities)

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Mycolicibacterium smegmatis (8003 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Bacillus subtilis (32866 Activities)

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Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Unknown	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1039.31	Molecular Weight (Monoisotopic): 1038.6127	AlogP: ┄	#Rotatable Bonds: ┄
Polar Surface Area: ┄	Molecular Species: ┄	HBA: ┄	HBD: ┄
#RO5 Violations: ┄	HBA (Lipinski): ┄	HBD (Lipinski): ┄	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: ┄	CX Basic pKa: ┄	CX LogP: ┄	CX LogD: ┄
Aromatic Rings: ┄	Heavy Atoms: ┄	QED Weighted: ┄	Np Likeness Score: ┄

References

1. Wu C, Tan Y, Gan M, Wang Y, Guan Y, Hu X, Zhou H, Shang X, You X, Yang Z, Xiao C.. (2013) Identification of elaiophylin derivatives from the marine-derived actinomycete Streptomyces sp. 7-145 using PCR-based screening., 76 (11): [PMID:24164206] [10.1021/np4006794]
2. Sheng Y, Lam PW, Shahab S, Santosa DA, Proteau PJ, Zabriskie TM, Mahmud T.. (2015) Identification of Elaiophylin Skeletal Variants from the Indonesian Streptomyces sp. ICBB 9297., 78 (11): [PMID:26510047] [10.1021/acs.jnatprod.5b00752]
3. Li K, Chen S, Pang X, Cai J, Zhang X, Liu Y, Zhu Y, Zhou X.. (2022) Natural products from mangrove sediments-derived microbes: Structural diversity, bioactivities, biosynthesis, and total synthesis., 230 [PMID:35063731] [10.1016/j.ejmech.2022.114117]

11-O-methylelaiophylin

Names and Identifiers

Alternative Forms

Associated Targets(Human)

Associated Targets(non-human)

Molecule Features

Drug Indications

Mechanisms of Action

Calculated Properties

References

Source