| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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(+)-germacrene D
ID: ALA1836650
Max Phase: Preclinical
Molecular Formula: C15H24
Molecular Weight: 204.36
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): (+)-Germacrene D
Synonyms from Alternative Forms(1):
Canonical SMILES: C=C1/C=C/[C@@H](C(C)C)CC/C(C)=C/CC1
Standard InChI: InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m1/s1
Standard InChI Key: GAIBLDCXCZKKJE-RGZOGPIRSA-N
Associated Targets(non-human)
Vibrio sp. (72 Activities)
Bacillus sp. (164 Activities)
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Brucella pseudogrignonensis (43 Activities)
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Mus musculus (284745 Activities)
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Molecule Features
| Natural Product: No | 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
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 204.36 | Molecular Weight (Monoisotopic): 204.1878 | AlogP: 4.89 | #Rotatable Bonds: 1 |
| Polar Surface Area: 0.00 | Molecular Species: | HBA: 0 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 0 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.92 | CX LogD: 4.92 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.53 | Np Likeness Score: 3.27 |
References
| 1. Reina E, Puentes C, Rojas J, García J, Ramos FA, Castellanos L, Aragón M, Ospina LF.. (2011) Fuscoside E: a strong anti-inflammatory diterpene from Caribbean octocoral Eunicea fusca., 21 (19): [PMID:21865038] [10.1016/j.bmcl.2011.07.092] |
Source
Source(1):