Basic information
- CAS
25129-91-3- Standard SMILES
CO[C@H]1/C=C/[C@@](C)(O)/C=C/C(=O)O[C@H](C)[C@@H](C)CC/C=C/1C- InChIKey
BYWWNDLILWPPJP-REXWONOSSA-N- Molecular formula
- C18H28O4
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.19875937
Overview
Albocycline is a macrolide.
Names & identifiers
- Preferred name
- (3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one
- IUPAC
- (3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
- English name
- albocycline
- Molecular formula
- C18H28O4
- Molecular weight
- 308.41
Names & synonyms
AlbocyclineIngramycin25129-91-3(3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one7SZA46DHQ2DTXSID601113147(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-oneRefChem:400710DTXCID301544745AlbocyclinCineromycin-B-methylaetherCHEMBL4128170
Show more names
Antibiotic TA-2407Cineromycin-β-methylaether(5R,8S,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-oneOxacyclotetradeca-3,6,9-trien-2-one, 5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-, (3E,5R,6E,8S,9E,13S,14R)-
TA-2407MEGxm0_000381orb1702600ACon0_000812ACon1_001110CHEBI:182469GLXC-23514BDBM50274417
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- form
- solid
- color
- Yellowish oil
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- InChI
- 1S/C18H28O4/c1-13-7-6-8-14(2)16(21-5)9-11-18(4,20)12-10-17(19)22-15(13)3/h8-13,15-16,20H,6-7H2,1-5H3/b11-9+,12-10+,14-8+/t13-,15+,16-,18+/m0/s1
- InChIKey
- BYWWNDLILWPPJP-REXWONOSSA-N
- SMILES
- O1[C@@H]([C@H](CC\C=C(\[C@H](\C=C\[C@](\C=C\C1=O)(O)C)OC)/C)C)C
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352205 · 12352205
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Applications
UsesAlbocycline is an antibiotic with selectivity mainly against staphylococci.
Suppliers7 total
Aladdin Scientific[email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Albocycline is a macrolide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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