Sciadenine; Me ether
AlkaPlorer ID: AK293428
Synonym: Isocycleanine, O-Methylsciadenine
IUPAC Name: 4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13(35),14,16(34),18(33),19,21,28,31-dodecaene
Structure
SMILES: COC1=C(OC)C2=C3C(=C1)CCN(C)C3CC1=CC=C(C=C1)OC1=C(OC)C(OC)=CC3=C1C(CC1=CC=C(C=C1)O2)N(C)CC3
InChI: InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3
InChIKey: ANOXEUSGZWSCQL-UHFFFAOYSA-N
Reference
Alkaloidal Variation in Cissampelos Capensis (Menispermaceae)
PubChem CID: 357329
CAS: 518-94-5
LOTUS: LTS0066059
NPASS: NPC317439
COCONUT: CNP0253850.5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Astragalus membranaceus | Astragalus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 622.7620000000002
TPSA？: 61.86000000000001
MolLogP？: 7.162400000000009
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 19815.27 | nM | None |
| Homo sapiens | A498 | GI50 | 16.9 | nM | None |
| Homo sapiens | A549 | GI50 | 26242.19 | nM | None |
| Homo sapiens | ACHN | GI50 | 26242.19 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 90573.26 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 18492.69 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 13458.6 | nM | None |
| Homo sapiens | DLD-1 | GI50 | 29241.52 | nM | None |
| Homo sapiens | DMS-114 | GI50 | 19769.7 | nM | None |
| Homo sapiens | DMS-273 | GI50 | 15310.87 | nM | None |
| Homo sapiens | EKVX | GI50 | 67608.3 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 13995.87 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 13803.84 | nM | None |
| Homo sapiens | HL-60 | GI50 | 15275.66 | nM | None |
| Homo sapiens | HOP-18 | GI50 | 25882.13 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 22387.21 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 32583.67 | nM | None |
| Homo sapiens | HT-29 | GI50 | 15135.61 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 13396.77 | nM | None |
| Homo sapiens | K562 | GI50 | 16904.41 | nM | None |
| Homo sapiens | KM12 | GI50 | 34434.99 | nM | None |
| Homo sapiens | KM-20L2 | GI50 | 19815.27 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 17660.38 | nM | None |
| Homo sapiens | LXFL 529 | GI50 | 20606.3 | nM | None |
| Homo sapiens | M14 | GI50 | 18793.17 | nM | None |
| Homo sapiens | M19-MEL | GI50 | 17298.16 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 20276.83 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 21777.1 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 15559.66 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 57942.87 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 23713.74 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 18706.82 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 12735.03 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 18620.87 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 13335.21 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 56623.93 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 20183.66 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 25585.86 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 12882.5 | nM | None |
| Homo sapiens | RXF 631 | GI50 | 13740.42 | nM | None |
| Homo sapiens | SF-268 | GI50 | 26977.39 | nM | None |
| Homo sapiens | SF-295 | GI50 | 18535.32 | nM | None |
| Homo sapiens | SF-539 | GI50 | 14454.4 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 32284.94 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 18836.49 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 16749.43 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 28248.8 | nM | None |
| Homo sapiens | SN12C | GI50 | 19010.78 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 33036.95 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 21777.1 | nM | None |
| Homo sapiens | SR | GI50 | 2877.4 | nM | None |
| Homo sapiens | SW-620 | GI50 | 15066.07 | nM | None |
| Homo sapiens | TK-10 | GI50 | 22130.95 | nM | None |
| Homo sapiens | U-251 | GI50 | 15848.93 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 13835.66 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 18967.06 | nM | None |
| Homo sapiens | UO-31 | GI50 | 14962.36 | nM | None |