|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
35
Total Number of Articles : 28
|
| PubChem |
148189
|
| Molecular Formula |
C15H18O3 |
| SMILES |
CC1=C(C2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C)CO |
| InChI |
InChI=1S/C15H18O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,16,18H,4-5,7H2,1-3H3/t14-/m0/s1 |
| synonyms |
- Irofulven
- 158440-71-2
- HMAF
- MGI 114
- (-)-Irofulven
- 6-Hydroxymethylacylfulvene
- MGI-114
- (R)-Irofulven
- NSC 683863
- (hydroxymethyl)acylfulvene
- NSC-683863
- (5'R)-5'-hydroxy-1'-(hydroxymethyl)-2',5',7'-trimethylspiro[cyclopropane-1,6'-indene]-4'-one
- MGI114
- 6B799IH05A
- LP-100
- (R)-6'-Hydroxy-3'-(hydroxymethyl)-2',4',6'-trimethylspiro(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one
- 6-(Hydroxymethyl)acylfulvene
- Acylfulvene, 6-(hydroxymethyl)-
- Irofulven [USAN:INN]
- UNII-6B799IH05A
- MGI.114
- IROFULVEN [INN]
- IROFULVEN [MI]
- Irofulven (USAN/INN)
- IROFULVEN [USAN]
- IROFULVEN [WHO-DD]
- SCHEMBL8800
- CHEMBL118218
- DTXSID50166423
- CHEBI:135002
Click to show/hide the synonyms
|
| Properties |
| Property |
Value |
| MW |
246.30 g/mol |
| HBD |
2 |
| HBA |
3 |
| Rotatable Bond Count |
1 |
| Exact Mass |
246.125594432 g/mol |
| Monoisotopic Mass |
246.125594432 g/mol |
| Heavy Atom Count |
18 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
558 |
| xlogp |
-0.2 |
| Topological Polar Surface Area |
57.5 |
|