Vobtusine; 3'-Hydroxy
AlkaPlorer ID: AK317828
Synonym: 3'-Hydroxyvobtusine
IUPAC Name: methyl 18,24'-dihydroxy-19'-methoxyspiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate
Structure
SMILES: COC(=O)C1=C2NC3=CC=CC=C3C23CCN2C(O)C4(CC5CC67CCOC6CCN6CCC8(C9=CC=CC(OC)=C9N(C4)C58O)C67)C4OCCC4(C1)C23
InChI: InChI=1S/C43H50N4O7/c1-51-29-9-5-7-27-31(29)47-23-40(21-24-20-38-13-18-53-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)50)36-39(14-19-54-36)22-25(33(48)52-2)32-41(11-17-46(34(39)41)37(40)49)26-6-3-4-8-28(26)44-32/h3-9,24,30,34-37,44,49-50H,10-23H2,1-2H3
InChIKey: HUWNUSVUJDHPHX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Voacanga chalotiana | Voacanga | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 734.8940000000001
TPSA？: 116.2
MolLogP？: 3.480800000000001
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 24266.1 | nM | None |
| Homo sapiens | A498 | GI50 | 64268.77 | nM | None |
| Homo sapiens | A549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | ACHN | GI50 | 86496.79 | nM | None |
| Homo sapiens | BT-549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 25176.77 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 100000.0 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 100000.0 | nM | None |
| Homo sapiens | DU-145 | GI50 | 36307.81 | nM | None |
| Homo sapiens | EKVX | GI50 | 52844.53 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 34514.37 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HL-60 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 44157.04 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 27227.01 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 22542.39 | nM | None |
| Homo sapiens | HT-29 | GI50 | 100000.0 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 87700.08 | nM | None |
| Homo sapiens | K562 | GI50 | 100000.0 | nM | None |
| Homo sapiens | KM12 | GI50 | 78886.01 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 95499.26 | nM | None |
| Homo sapiens | M14 | GI50 | 71944.9 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 56363.77 | nM | None |
| Homo sapiens | MCF7 | GI50 | 47206.3 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 15595.53 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 58748.94 | nM | None |
| Homo sapiens | MDA-N | GI50 | 98174.79 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 87902.25 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 76736.15 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 36391.5 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 61944.11 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 23496.33 | nM | None |
| Homo sapiens | PC-3 | GI50 | 34833.73 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 100000.0 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 49659.23 | nM | None |
| Homo sapiens | SF-268 | GI50 | 26121.61 | nM | None |
| Homo sapiens | SF-295 | GI50 | 34593.94 | nM | None |
| Homo sapiens | SF-539 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 84139.51 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 97498.96 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 49545.02 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 68548.82 | nM | None |
| Homo sapiens | SN12C | GI50 | 79799.47 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 45708.82 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 23496.33 | nM | None |
| Homo sapiens | SR | GI50 | 14655.48 | nM | None |
| Homo sapiens | SW-620 | GI50 | 62373.48 | nM | None |
| Homo sapiens | T47D | GI50 | 20323.57 | nM | None |
| Homo sapiens | TK-10 | GI50 | 100000.0 | nM | None |
| Homo sapiens | U-251 | GI50 | 35563.13 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UO-31 | GI50 | 100000.0 | nM | None |