Molecule

None

AlkaPlorer ID: AK164385

Synonym: None

IUPAC Name: 3-[18-(2-carboxyethyl)-3,8,13,17-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid

Structure

SMILES: CC1=C(CCC(=O)O)C2=CC3=NC(=CC4=C(C)C=C(C=C5NC(=CC1=N2)C=C5C)N4)C(C)=C3CCC(=O)O

InChI: InChI=1S/C30H30N4O4/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20/h9-14,31-32H,5-8H2,1-4H3,(H,35,36)(H,37,38)

InChIKey: VAJVGAQAYOAJQI-UHFFFAOYSA-N

Reference

On the Novel Free Porphyrins Corallistin B, C, D, and E: Isolation from the demosponge <i>Corallistes</i> sp. of the Coral Sea and Reactivity of Their Nickel 55 (II) Complexes toward Formylating Reagents

PubChem CID: 67973

CAS: 68929-05-5

LOTUS: LTS0042595

COCONUT: CNP0470404

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	None	Corallistidae	Tetractinellida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 510.5940000000003

TPSA？: 131.95999999999998

MolLogP？: 6.522640000000005

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi