(1S,14R)-9,20,25-trimethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.1³,⁷.1⁸,¹².1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]pentatriaconta-3,5,7(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol
AlkaPlorer ID: AK034718
Synonym: None
IUPAC Name: (1S,14R)-9,20,25-trimethoxy-15,30-dimethyl-23-oxa-15,30-diazaheptacyclo[22.6.2.13,7.18,12.114,18.027,31.022,33]pentatriaconta-3(35),4,6,8,10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol
Structure
SMILES: COC1=C2C=C3C(=C1)CCN(C)[C@H]3CC1=CC=C(O)C(=C1)C1=CC(=CC=C1OC)C[C@@H]1C3=C(C=C(OC)C(O)=C3O2)CCN1C
InChI: InChI=1S/C37H40N2O6/c1-38-12-10-23-18-32(43-4)33-20-25(23)28(38)16-21-6-8-30(40)26(14-21)27-15-22(7-9-31(27)42-3)17-29-35-24(11-13-39(29)2)19-34(44-5)36(41)37(35)45-33/h6-9,14-15,18-20,28-29,40-41H,10-13,16-17H2,1-5H3/t28-,29+/m0/s1
InChIKey: MNNXIEANPHEHSB-URLMMPGGSA-N
Reference
Bisbenzylisoquinoline alkaloids from Guatteria boliviana (Annonaceae)
PubChem CID: 11801846
LOTUS: LTS0133495
SuperNatural Ⅲ: SN0230390-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Guatteria boliviana | Guatteria | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 608.7350000000001
TPSA？: 83.86000000000001
MolLogP？: 6.439700000000008
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|