2-[(4-hydroxyphenyl)methyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
AlkaPlorer ID: AK009173
Synonym: None
IUPAC Name: (3S)-2-[(4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
Structure
SMILES: O=C(O)[C@@H]1CC2=C(CN1CC1=CC=C(O)C=C1)NC1=CC=CC=C21
InChI: InChI=1S/C19H18N2O3/c22-13-7-5-12(6-8-13)10-21-11-17-15(9-18(21)19(23)24)14-3-1-2-4-16(14)20-17/h1-8,18,20,22H,9-11H2,(H,23,24)/t18-/m0/s1
InChIKey: FWSRKMKBCXSLMT-SFHVURJKSA-N
Reference
Callophycin A, a cytotoxic tetrahydro-β-carboline from the red alga Callophycus oppositifolius
PubChem CID: 56598207
LOTUS: LTS0194287
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Callophycus oppositifolius | Callophycus | Solieriaceae | Gigartinales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 322.3640000000001
TPSA？: 76.56
MolLogP？: 2.8850000000000007
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 19A1 | IC50 | 10500.0 | nM | 10.1016/j.bmc.2011.09.020 |
| Homo sapiens | Cytochrome P450 19A1 | Inhibition | 57.9 | % | 10.1016/j.bmc.2011.09.020 |
| Homo sapiens | MCF7 | Survival | 85.2 | % | 10.1016/j.bmc.2011.09.020 |
| Mus musculus | NAD(P)H dehydrogenase [quinone] 1 | Ratio | 1.7 | None | 10.1016/j.bmc.2011.09.020 |
| Mus musculus | NAD(P)H dehydrogenase [quinone] 1 | Survival | 88.3 | % | 10.1016/j.bmc.2011.09.020 |
| Mus musculus | Nitric oxide synthase, inducible | Inhibition | 16.0 | % | 10.1016/j.bmc.2011.09.020 |
| Mus musculus | Nitric oxide synthase, inducible | Survival | 90.3 | % | 10.1016/j.bmc.2011.09.020 |
| Mus musculus | RAW264.7 | Inhibition | nan | % | 10.1021/np400800h |
| None | Unchecked | Inhibition | 55.0 | % | 10.1016/j.bmc.2011.09.020 |
| None | Unchecked | Survival | 102.4 | % | 10.1016/j.bmc.2011.09.020 |