Basic information
- CAS
74515-47-2- Standard SMILES
COc1ccc2c(c1CC=C(C)C)O[C@H]1c3ccc(O)cc3OC[C@@]21O- InChIKey
ZHPYEBFYLDGZKF-LEWJYISDSA-N- Molecular formula
- C21H22O5
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.1467238
Overview
Cristacarpin is a member of pterocarpans.
Names & identifiers
- Preferred name
- (6aS,11aS)-9-methoxy-10-(3-methyl-2-buten-1-yl)-6H-benzofuro(3,2-c)(1)benzopyran-3,6a(11aH)-diol
- IUPAC
- (6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
- English name
- cristacarpin
- Molecular formula
- C21H22O5
- Molecular weight
- 354.4
Names & synonyms
Cristacarpin74515-47-2Erythrabissin IQJL3YN9QTA(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol6H-Benzofuro(3,2-c)(1)benzopyran-3,6a(11aH)-diol, 9-methoxy-10-(3-methyl-2-butenyl)-, (6aS-cis)-(6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-(1)benzofuro(3,2-c)chromene-3,6a-diol6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol, 9-methoxy-10-(3-methyl-2-butenyl)-, (6aS-cis)-RefChem:906252(6aS,11aS)-9-methoxy-10-(3-methyl-2-buten-1-yl)-6H-benzofuro(3,2-c)(1)benzopyran-3,6a(11aH)-diolErythrabyssin ICHEMBL454849
Show more names
6H-Benzofuro[3,2-c][1]benzopyran-3,6a(11aH)-diol,9-methoxy-10-(3-methyl-2-buten-1-yl)-, (6aS,11aS)-
Crystacarpin6alpha-HydroxyphaseollidinCHEBI:3917orb1682886SCHEMBL4740053DTXSID20996032HY-N3642BDBM50317430
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 545
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Pterocarpans [PK1207]
Physicochemical properties
- FDA UNII
- 3 YN9QTA · QJL3YN9QTA
Chemistry & industry
Applications
UsesCristacarpin can be extracted from the stem bark of Erythrina suberosa, promotes endoplasmic reticulum (ER) stress, leading to sublethal reactive oxygen species (ROS) production and ultimately cell death through senescence[1].
Suppliers30 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
武汉天植生物技术有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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