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CINNAMODIAL
ID: ALA373458
Max Phase: Preclinical
Molecular Formula: C17H24O5
Molecular Weight: 308.37
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): NSC-277293
Synonyms from Alternative Forms(1):
Canonical SMILES: CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12
Standard InChI: InChI=1S/C17H24O5/c1-11(20)22-13-8-12(9-18)17(21,10-19)16(4)7-5-6-15(2,3)14(13)16/h8-10,13-14,21H,5-7H2,1-4H3/t13-,14+,16+,17-/m1/s1
Standard InChI Key: UKLMEFSRPRDOLD-YQFWSFKMSA-N
Associated Targets(Human)
Maltase-glucoamylase 654 Activities
MOLT-4 49676 Activities
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CCRF-CEM 65223 Activities
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E6SM 1586 Activities
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HeLa 62764 Activities
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Associated Targets(non-human)
Vaccinia virus 4609 Activities
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Vesicular stomatitis virus 4460 Activities
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Respiratory syncytial virus 3434 Activities
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Human alphaherpesvirus 1 11089 Activities
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Human alphaherpesvirus 2 4932 Activities
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Coxsackievirus B4 2249 Activities
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P388 20296 Activities
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Aspergillus niger 16508 Activities
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Rhizopus microsporus var. chinensis 21 Activities
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Sclerotinia 20 Activities
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Schizosaccharomyces pombe 495 Activities
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Proteus vulgaris 5823 Activities
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Micrococcus luteus 7463 Activities
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Penicillium crustosum 31 Activities
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Mucor mucedo 338 Activities
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Cyberlindnera jadinii 900 Activities
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Saccharomyces cerevisiae 19171 Activities
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Pseudomonas aeruginosa 123386 Activities
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Escherichia coli 133304 Activities
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Bacillus subtilis 32866 Activities
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Staphylococcus aureus 210822 Activities
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Wickerhamomyces anomalus 305 Activities
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Candida albicans 78123 Activities
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Cryptococcus neoformans 21258 Activities
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Scheffersomyces shehatae 4 Activities
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Exophiala dermatitidis 27 Activities
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Scedosporium boydii 94 Activities
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Alternaria alternata 757 Activities
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Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
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Mechanisms of Action
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Properties
| Molecular Weight: 308.37 | Molecular Weight (Monoisotopic): 308.1624 | AlogP: 1.82 | #Rotatable Bonds: 3 |
| Polar Surface Area: 80.67 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.05 | CX Basic pKa: | CX LogP: 1.23 | CX LogD: 1.23 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.64 | Np Likeness Score: 3.24 |
References
| 1. Harinantenaina L, Asakawa Y, De Clercq E.. (2007) Cinnamacrins A-C, cinnafragrin D, and cytostatic metabolites with alpha-glucosidase inhibitory activity from Cinnamosma macrocarpa., 70 (2): [PMID:17286431] [10.1021/np060435l] |
| 2. Taniguchi M, Kubo I.. (1993) Ethnobotanical drug discovery based on medicine men's trials in the African savanna: screening of east African plants for antimicrobial activity II., 56 (9): [PMID:8254349] [10.1021/np50099a012] |
| 3. Treyvaud Amiguet V, Petit P, Ta CA, Nuñez R, Sánchez-Vindas P, Alvarez LP, Smith ML, Arnason JT, Durst T.. (2006) Phytochemistry and antifungal properties of the newly discovered tree Pleodendron costaricense., 69 (7): [PMID:16872133] [10.1021/np0504863] |
| 4. Mahmoud II, Kinghorn AD, Cordell GA, Farnsworth NR.. (1980) Potential anticancer agents. XVI. Isolation of bicyclofarnesane sesquiterpenoids from Capsicodendron dinisii., 43 (3): [PMID:7400822] [10.1021/np50009a008] |
| 5. Karmahapatra S, Kientz C, Shetty S, Yalowich JC, Rakotondraibe LH.. (2018) Capsicodendrin from Cinnamosma fragrans Exhibits Antiproliferative and Cytotoxic Activity in Human Leukemia Cells: Modulation by Glutathione., 81 (3): [PMID:29406734] [10.1021/acs.jnatprod.7b00887] |
Source
Source(1):