Hernandezine
AlkaPlorer ID: AK040451
Synonym: '', 'Hernandezine'
IUPAC Name: (14S)-9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaene
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1C3=CC(=C(OC)C=C3CCN1C)OC1=C(OC)C(OC)=C(OC)C3=C1[C@H](C2)N(C)CC3
InChI: InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29?,30-/m0/s1
InChIKey: FUZMQNZACIFDBL-ZSXSBBPPSA-N
Source
Properties Information
Molecule Weight: 652.788
TPSA？: 71.09
MolLogP？: 7.171000000000009
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|