Ergosta-4,6,8(14),22-tetraen-3-ylurea; (3α,22E,24R)-form
AlkaPlorer ID: AK297685
Synonym: None
IUPAC Name: [17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl]urea
Structure
SMILES: CC(C)C(C)C=CC(C)C1CCC2=C3C=CC4=CC(NC(=N)O)CCC4(C)C3CCC21C
InChI: InChI=1S/C29H44N2O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(31-27(30)32)13-15-28(21,5)26(23)14-16-29(24,25)6/h7-10,17-20,22,24,26H,11-16H2,1-6H3,(H3,30,31,32)
InChIKey: QMRIXJXCSWHXLU-UHFFFAOYSA-N
Reference
Two New Steroidal Derivatives from the Fruit Body of Chlorophyllum molybdites.
PubChem CID: 73082575
LOTUS: LTS0163616
COCONUT: CNP0337110.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chlorophyllum molybdites | Chlorophyllum | Agaricaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 436.68400000000025
TPSA？: 56.11
MolLogP？: 7.340970000000007
Number of H-Donors: 3
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|