2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid; (S)-form, N2-(4-Hydroxybenzyl)
AlkaPlorer ID: AK315450
Synonym: Callophycine A
IUPAC Name: 2-[(4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
Structure
SMILES: O=C(O)C1CC2=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)
InChIKey: FWSRKMKBCXSLMT-UHFFFAOYSA-N
Reference
Callophycin A, a cytotoxic tetrahydro-β-carboline from the red alga Callophycus oppositifolius
PubChem CID: 76372196
LOTUS: LTS0185513
COCONUT: CNP0130274.1
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 |
|---|