S-dehydroazasirosterol
AlkaPlorer ID: AK133209
Synonym: None
IUPAC Name: (4S,7R,10R,11R,15R,18S,20R,28S)-10-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-18,23,25-trihydroxy-11,15,27,27,28,32-hexamethyl-3,29-dioxa-21-azanonacyclo[22.10.1.02,22.04,20.06,14.07,11.015,20.026,30.031,35]pentatriaconta-1,5,13,22,24(35),25,30,32-octaen-34-one
Structure
SMILES: CC1=CC(O)=C2C3=C(N[C@]45C[C@@H](O)CC[C@]4(C)C4=CC[C@]6(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]6C4=C[C@@H]5O3)C(=O)C3=C(O)C4=C(O[C@@H](C)C4(C)C)C1=C23
InChI: InChI=1S/C47H59NO6/c1-22(2)23(3)11-12-24(4)29-13-14-30-28-20-33-47(21-27(49)15-18-46(47,10)31(28)16-17-45(29,30)9)48-39-41(52)37-36-34(25(5)19-32(50)35(36)43(39)54-33)42-38(40(37)51)44(7,8)26(6)53-42/h11-12,16,19-20,22-24,26-27,29-30,33,48-51H,13-15,17-18,21H2,1-10H3/b12-11+/t23-,24+,26-,27-,29+,30-,33-,45+,46+,47-/m0/s1
InChIKey: RBONDXITUZWYKS-HWUJHYJKSA-N
Reference
Unusual Nitrogenous Phenalenone Derivatives from the Marine-Derived Fungus Coniothyrium cereale
PubChem CID: 137270195
SuperNatural Ⅲ: SN0320963-02
{NPAtlas: NPA030247
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Coniothyrium | Coniothyriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 733.9900000000001
TPSA？: 108.25
MolLogP？: 9.54812
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|