Basic information
- CAS
549-06-4- Standard SMILES
COc1cc(C)c2c(c1C=O)Oc1c(c(C)c(O)c3c1C(O)OC3=O)OC2=O- InChIKey
SKCUFZLDTAYNBZ-UHFFFAOYSA-N- Molecular formula
- C19H14O9
- Average molar mass
- 386.3 g/mol
- Monoisotopic mass
- 386.06378202
Overview
LSM-4387 is an aromatic ether.
Names & identifiers
- Preferred name
- Stictic Acid
- IUPAC
- 13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
- English name
- Stictic acid
- Molecular formula
- C19H14O9
- Molecular weight
- 386.31
Names & synonyms
STICTIC ACID549-06-4NSC-87511NZR6AX77LP1,3-Dihydro-1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carboxaldehyde13,17-Dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehydeDTXSID209720531,3-Dihydro-1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carboxaldehyde7H-Isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carboxaldehyde, 1,3-dihydro-1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-Isobenzofuro[4,5-b][1,4]benzodioxepin-11-carboxaldehyde, 1,3-dihydro-1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo(9.7.0.03,8.014,18)octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehydeRefChem:185743
Show more names
STICTIC ACID(AS)STEREOCAULONIC ACIDStictic Acid, 10 mM in DMSO1,3-Dihydro-1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carbaldehyde
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 666
Physicochemical properties
- Melting point
- 260 °C · 260 °C (decomp)(Solv: ethanol (64-17-5))
- Boiling point
- 744.1 · 744.1±60.0 °C(Predicted)
- Density
- 1.591 · 1.591±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- DMF: Soluble; DMSO: Soluble; Ethanol: Soluble; Methanol: Soluble
- form
- A solid
- pka
- 8.94 · 8.94±0.40(Predicted)
- color
- White to off-white
- LogP
- 1.56 · 1.560 (est)
- FDA UNII
- 6 AX77LP · NZR6AX77LP
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 334 · H334
- Precautionary statements
- 261 · P261-P285-P304+P341-P342+P311-P501
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
H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
P233, P260, P271, P284, P304+P340, P342+P316, P403, 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 CategoriesResp. Sens. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H334
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501
Chemistry & industry
Applications
UsesStictic acid is a secondary metabolite that can be isolated from the lichen Lobaria pulmonaria (L.) Hoffm. Stictic acid inhibits growth of human colon adenocarcinoma HT-29 cells (IC50: 29.29 μg/mL)[1].
Suppliers14 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海同田生物技术有限公司021-51320588 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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