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Geodiamolide B

AlkaPlorer ID: AK002867

Synonym: None

IUPAC Name: (3S,6R,9S,12S,14E,16R,18S)-6-[(3-bromo-4-hydroxyphenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone

Structure

SMILES: C/C1=C\[C@H](C)C[C@H](C)OC(=O)[C@H](C)N=C(O)[C@@H](CC2=CC=C(O)C(Br)=C2)N(C)C(=O)[C@H](C)N=C(O)[C@@H](C)C1

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InChI: InChI=1S/C28H40BrN3O6/c1-15-10-16(2)12-18(4)38-28(37)20(6)31-26(35)23(14-21-8-9-24(33)22(29)13-21)32(7)27(36)19(5)30-25(34)17(3)11-15/h8-10,13,16-20,23,33H,11-12,14H2,1-7H3,(H,30,34)(H,31,35)/b15-10+/t16-,17-,18-,19-,20-,23+/m0/s1

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InChIKey: QYMMTIVLYXHSHK-SVSKSJJFSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Geodia corticostylifera Geodia Geodiidae Tetractinellida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 594.5470000000001

TPSA？: 132.02

MolLogP？: 5.158200000000004

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 7.516 nM None
Homo sapiens A498 GI50 14.89 nM None
Homo sapiens A549 GI50 64.57 nM None
Homo sapiens ACHN GI50 32.58 nM None
Homo sapiens BT-549 GI50 131.83 nM None
Homo sapiens CAKI-1 GI50 14.86 nM None
Homo sapiens CCRF-CEM GI50 12.39 nM None
Homo sapiens COLO 205 GI50 7.278 nM None
Homo sapiens DU-145 GI50 154.53 nM None
Homo sapiens EKVX GI50 65.16 nM None
Homo sapiens HCC 2998 GI50 4.083 nM None
Homo sapiens HCT-116 GI50 3.819 nM None
Homo sapiens HCT-15 GI50 981.75 nM None
Homo sapiens HL-60 GI50 4.467 nM None
Homo sapiens HOP-62 GI50 13.93 nM None
Homo sapiens HOP-92 GI50 53.33 nM None
Homo sapiens Hs-578T GI50 93.97 nM None
Homo sapiens HT-29 GI50 7.834 nM None
Homo sapiens IGROV-1 GI50 15.21 nM None
Homo sapiens K562 GI50 83.56 nM None
Homo sapiens KM12 GI50 731.14 nM None
Homo sapiens LOX IMVI GI50 5.333 nM None
Homo sapiens M14 GI50 117.76 nM None
Homo sapiens Malme-3M GI50 70.79 nM None
Homo sapiens MCF7 GI50 47.86 nM None
Homo sapiens MDA-MB-231 GI50 21.09 nM None
Homo sapiens MDA-MB-435 GI50 73.45 nM None
Homo sapiens MDA-N GI50 98.17 nM None
Homo sapiens MOLT-4 GI50 299.92 nM None
Homo sapiens NCI/ADR-RES GI50 125.6 nM None
Homo sapiens NCI-H226 GI50 50.47 nM None
Homo sapiens NCI-H23 GI50 462.38 nM None
Homo sapiens NCI-H322M GI50 413.05 nM None
Homo sapiens NCI-H460 GI50 7.015 nM None
Homo sapiens NCI-H522 GI50 14.93 nM None
Homo sapiens OVCAR-3 GI50 17.95 nM None
Homo sapiens OVCAR-4 GI50 63.1 nM None
Homo sapiens OVCAR-5 GI50 10690.55 nM None
Homo sapiens OVCAR-8 GI50 146.89 nM None
Homo sapiens PC-3 GI50 33.5 nM None
Homo sapiens RPMI-8226 GI50 29.51 nM None
Homo sapiens RXF 393 GI50 65.61 nM None
Homo sapiens SF-268 GI50 33.11 nM None
Homo sapiens SF-295 GI50 57.81 nM None
Homo sapiens SF-539 GI50 52.97 nM None
Homo sapiens SK-MEL-2 GI50 50.23 nM None
Homo sapiens SK-MEL-28 GI50 6.592 nM None
Homo sapiens SK-MEL-5 GI50 12.74 nM None
Homo sapiens SK-OV-3 GI50 49.55 nM None
Homo sapiens SN12C GI50 400.87 nM None
Homo sapiens SNB-19 GI50 184.5 nM None
Homo sapiens SNB-75 GI50 18.37 nM None
Homo sapiens SR GI50 25.12 nM None
Homo sapiens SW-620 GI50 3.855 nM None
Homo sapiens T47D GI50 282.49 nM None
Homo sapiens TK-10 GI50 72.44 nM None
Homo sapiens U-251 GI50 9.908 nM None
Homo sapiens UACC-257 GI50 92.68 nM None
Homo sapiens UACC-62 GI50 145.55 nM None
Homo sapiens UO-31 GI50 53.83 nM None

Metabolism Information