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Rubijervine

AlkaPlorer ID: AK016515

Synonym: ''

IUPAC Name: (1S,2R,7S,10R,11S,13S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene-7,13-diol

Structure

SMILES: C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]34C)N2C1

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InChI: InChI=1S/C27H43NO2/c1-15-5-8-22-16(2)25-23(28(22)14-15)12-21-19-7-6-17-11-18(29)9-10-26(17,3)20(19)13-24(30)27(21,25)4/h6,15-16,18-25,29-30H,5,7-14H2,1-4H3/t15-,16+,18-,19+,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1

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InChIKey: AANKDJLVHZQCFG-KVHNBARJSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Stemonoporus canaliculatus Stemonoporus Dipterocarpaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Phlomis samia Phlomis Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Albizia julibrissin Albizia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Artemisia spicigera Artemisia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Gloriosa superba Gloriosa Colchicaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Veratrum oxysepalum Veratrum Melanthiaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Stevia isomeca Stevia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Melicope ternata Melicope Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Botryotrichum peruvianum Botryotrichum Chaetomiaceae Sordariales Sordariomycetes Ascomycota Fungi Eukaryota
Leucopaxillus giganteus Leucopaxillus Tricholomataceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Bulnesia retama Bulnesia Zygophyllaceae Zygophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Tanacetum parthenium Tanacetum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Phyllanthus acuminatus Phyllanthus Phyllanthaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Veratrum nigrum Veratrum Melanthiaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Delphinium ternatum Delphinium Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hohenbuehelia grisea Hohenbuehelia Pleurotaceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Tetrapleura tetraptera Tetrapleura Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 413.6460000000002

TPSA？: 43.7

MolLogP？: 4.625800000000005

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens 786-0 GI50 100000.0 nM None
Homo sapiens A498 GI50 100000.0 nM None
Homo sapiens A549 GI50 100000.0 nM None
Homo sapiens ACHN GI50 100000.0 nM None
Homo sapiens BT-549 GI50 100000.0 nM None
Homo sapiens CAKI-1 GI50 100000.0 nM None
Homo sapiens COLO 205 GI50 100000.0 nM None
Homo sapiens DU-145 GI50 100000.0 nM None
Homo sapiens EKVX GI50 100000.0 nM None
Homo sapiens HCC 2998 GI50 100000.0 nM None
Homo sapiens HCT-116 GI50 100000.0 nM None
Homo sapiens HCT-15 GI50 100000.0 nM None
Homo sapiens HOP-62 GI50 100000.0 nM None
Homo sapiens HOP-92 GI50 100000.0 nM None
Homo sapiens Hs-578T GI50 100000.0 nM None
Homo sapiens HT-29 GI50 100000.0 nM None
Homo sapiens IGROV-1 GI50 100000.0 nM None
Homo sapiens K562 GI50 100000.0 nM None
Homo sapiens KM12 GI50 100000.0 nM None
Homo sapiens LOX IMVI GI50 100000.0 nM None
Homo sapiens M14 GI50 100000.0 nM None
Homo sapiens Malme-3M GI50 100000.0 nM None
Homo sapiens MCF7 GI50 100000.0 nM None
Homo sapiens MDA-MB-231 GI50 100000.0 nM None
Homo sapiens MDA-MB-435 GI50 100000.0 nM None
Homo sapiens MDA-N GI50 100000.0 nM None
Homo sapiens MOLT-4 GI50 100000.0 nM None
Homo sapiens NCI/ADR-RES GI50 100000.0 nM None
Homo sapiens NCI-H226 GI50 100000.0 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 100000.0 nM None
Homo sapiens NCI-H522 GI50 100000.0 nM None
Homo sapiens OVCAR-3 GI50 100000.0 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 100000.0 nM None
Homo sapiens PC-3 GI50 100000.0 nM None
Homo sapiens RPMI-8226 GI50 100000.0 nM None
Homo sapiens RXF 393 GI50 100000.0 nM None
Homo sapiens SF-268 GI50 100000.0 nM None
Homo sapiens SF-295 GI50 100000.0 nM None
Homo sapiens SF-539 GI50 100000.0 nM None
Homo sapiens SK-MEL-2 GI50 100000.0 nM None
Homo sapiens SK-MEL-28 GI50 100000.0 nM None
Homo sapiens SK-MEL-5 GI50 100000.0 nM None
Homo sapiens SK-OV-3 GI50 100000.0 nM None
Homo sapiens SN12C GI50 100000.0 nM None
Homo sapiens SNB-19 GI50 100000.0 nM None
Homo sapiens SNB-75 GI50 100000.0 nM None
Homo sapiens SR GI50 100000.0 nM None
Homo sapiens SW-620 GI50 100000.0 nM None
Homo sapiens T47D GI50 100000.0 nM None
Homo sapiens TK-10 GI50 100000.0 nM None
Homo sapiens U-251 GI50 100000.0 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

Metabolism Information