Veramarine
AlkaPlorer ID: AK101909
Synonym: ''
IUPAC Name: (1R,2S,6S,9S,10S,11R,12S,14S,15S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-17-ene-10,12,20-triol
Structure
SMILES: C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]3C[C@H](O)[C@@H]1[C@]2(C)O
InChI: InChI=1S/C27H43NO3/c1-15-4-7-24-27(3,31)25-21(14-28(24)13-15)19-11-22-18(20(19)12-23(25)30)6-5-16-10-17(29)8-9-26(16,22)2/h5,15,17-25,29-31H,4,6-14H2,1-3H3/t15-,17-,18-,19+,20-,21-,22-,23-,24-,25+,26-,27+/m0/s1
InChIKey: RMMINDRCVQZDMN-SLZUFSGJSA-N
Reference
Veramadines A and B, New Steroidal Alkaloids from Veratrum maackii var. japonicum
PubChem CID: 162945498
LOTUS: LTS0112150
SuperNatural Ⅲ: SN0329427-03
NPASS: NPC29674
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melicope ternata | Melicope | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Tanacetum parthenium | Tanacetum | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Hohenbuehelia grisea | Hohenbuehelia | Pleurotaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 429.6450000000002
TPSA？: 63.93000000000001
MolLogP？: 3.5982000000000034
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Daoy | Activity | 79.45 | % | 10.1016/j.bmc.2021.116166 |
| Homo sapiens | Smoothened homolog | Activity | 42.8 | % | 10.1016/j.bmc.2021.116166 |
| None | Unchecked | IC50 | 950.0 | nM | 10.1016/j.bmc.2021.116166 |