Camelliin B
| Internal ID | 8815dad2-bc94-4618-b158-fb15da99866c |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [38-formyl-4,5,6,21,22,23,26,27,31,32,33,45,46,47,50,51,57-heptadecahydroxy-9,18,36,42,54,60-hexaoxo-12,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,17,29,37,41,55,61,62-nonaoxadecacyclo[38.11.6.414,28.111,15.03,8.019,24.030,35.043,48.049,53.025,59]dohexaconta-1(51),3,5,7,19,21,23,25,27,30,32,34,43,45,47,49,52,58-octadecaen-39-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1C(C2C(C(OC(=O)C3=CC(=C(C(=C3OC4=C(C(=C5C(=C4)C(=O)OC6C(COC(=O)C7=CC(=C(C(=C75)O)O)O)OC(C(C6OC(=O)C8=CC(=C(C(=C8)O)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)OC(=O)C3=CC(=C(C(=C3OC3=C(C(=C(C(=C3)C(=O)O1)C1=C(C(=C(C=C1C(=O)O2)O)O)O)O)O)O)O)O)O)O)O)O)O)C=O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O |
| SMILES (Isomeric) | C1C(C2C(C(OC(=O)C3=CC(=C(C(=C3OC4=C(C(=C5C(=C4)C(=O)OC6C(COC(=O)C7=CC(=C(C(=C75)O)O)O)OC(C(C6OC(=O)C8=CC(=C(C(=C8)O)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O)OC(=O)C3=CC(=C(C(=C3OC3=C(C(=C(C(=C3)C(=O)O1)C1=C(C(=C(C=C1C(=O)O2)O)O)O)O)O)O)O)O)O)O)O)O)O)C=O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O |
| InChI | InChI=1S/C75H52O48/c76-13-38-62(119-66(103)16-1-25(77)44(88)26(78)2-16)61-35(87)14-112-70(107)21-11-36(51(95)55(99)42(21)41-20(71(108)118-61)8-32(84)48(92)54(41)98)114-60-24(10-34(86)50(94)58(60)102)74(111)123-75-65(122-68(105)18-5-29(81)46(90)30(82)6-18)64(121-67(104)17-3-27(79)45(89)28(80)4-17)63-39(117-75)15-113-69(106)19-7-31(83)47(91)53(97)40(19)43-22(72(109)120-63)12-37(52(96)56(43)100)115-59-23(73(110)116-38)9-33(85)49(93)57(59)101/h1-13,35,38-39,61-65,75,77-102H,14-15H2 |
| InChI Key | WASNQMYMYFXZHF-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C75H52O48 |
| Molecular Weight | 1721.20 g/mol |
| Exact Mass | 1720.1628034 g/mol |
| Topological Polar Surface Area (TPSA) | 807.00 Ų |
| XlogP | 2.10 |
| 126347-60-2 |
| [formyl-heptadecahydroxy-hexaoxo-bis[(3,4,5-trihydroxybenzoyl)oxy][?]yl] 3,4,5-trihydroxybenzoate |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.63% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.88% | 91.11% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 98.04% | 83.57% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.69% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.11% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.07% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.80% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.93% | 95.56% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 92.88% | 83.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.43% | 94.73% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.08% | 94.80% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.79% | 89.34% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.57% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.21% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.48% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.17% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.61% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.89% | 97.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.26% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.20% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.87% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 83.73% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.62% | 100.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.50% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.46% | 95.50% |
| CHEMBL1993 | P26358 | DNA (cytosine-5)-methyltransferase 1 | 82.96% | 95.44% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.56% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.60% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.26% | 96.09% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.60% | 80.78% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Camellia japonica |
| Camellia oleifera |
| Loropetalum chinense |
| PubChem | 16130317 |
| LOTUS | LTS0048254 |
| wikiData | Q105300454 |