Cas no 119963-50-7 (Phenanthro[1,2-b]furan-10,11-dione,6,7-dihydro-1,6,6-trimethyl-)
![Phenanthro[1,2-b]furan-10,11-dione,6,7-dihydro-1,6,6-trimethyl- structure](https://ossimg.kuujia.com/scimg/120000/119963-50-7x500.png)
119963-50-7 structure
Product Name:Phenanthro[1,2-b]furan-10,11-dione,6,7-dihydro-1,6,6-trimethyl-
CAS No:119963-50-7
MF:C19H16O3
MW:292.328545570374
CID:195740
PubChem ID:128994
Update Time:2025-04-19
Phenanthro[1,2-b]furan-10,11-dione,6,7-dihydro-1,6,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthro[1,2-b]furan-10,11-dione,6,7-dihydro-1,6,6-trimethyl-
- 1,2-Didehydrotanshinone IIA
- 1,6,6-trimethyl-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
- 1,6,6-trimethyl-6,7-dihydrophenanthro[1,2-b]furan-10,11-dione
- delta1-Dehydrotanshinone II(A)
- Phenanthro(1,2-b)furan-10,11-dione, 6,7-dihydro-1,6,6-trimethyl-
- dehydrotanshinone II A
- BDBM50604721
- 119963-50-7
- DTXSID50152629
- AKOS040736184
- FS-7556
- SCHEMBL16152261
- CHEMBL4288269
- 1,6,6-trimethyl-7H-phenanthro[1,2-b]furan-10,11-dione
-
- Inchi： 1S/C19H16O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h4-7,9H,8H2,1-3H3
- InChI Key： PURTYNPVRFEUEN-UHFFFAOYSA-N
- SMILES： O1C=C(C)C2C(C(C3=C(C1=2)C=CC1=C3C=CCC1(C)C)=O)=O
Computed Properties
- Exact Mass: 292.10998
- Monoisotopic Mass: 292.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 547
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 47.3?2
Experimental Properties
- Color/Form: Red powder
- PSA: 47.28
Phenanthro[1,2-b]furan-10,11-dione,6,7-dihydro-1,6,6-trimethyl- Related Literature
-
1. Discovery of indoleamine 2,3-dioxygenase inhibitors using machine learning based virtual screeningHongao Zhang,Wei Liu,Zhihong Liu,Yingchen Ju,Mengyang Xu,Yue Zhang,Xinyu Wu,Qiong Gu,Zhong Wang,Jun Xu Med. Chem. Commun. 2018 9 937
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