Molecule

Saxitoxin; Decarbamoyl, 13-O-(4-hydroxybenzoyl)

AlkaPlorer ID: AK312995

Synonym: GC 3

IUPAC Name: (2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methyl 4-hydroxybenzoate

Structure

SMILES: N=C1NC2C(COC(=O)C3=CC=C(O)C=C3)NC(=N)N3CCC(O)(O)C23N1

InChI: InChI=1S/C16H20N6O5/c17-13-20-11-10(7-27-12(24)8-1-3-9(23)4-2-8)19-14(18)22-6-5-15(25,26)16(11,22)21-13/h1-4,10-11,23,25-26H,5-7H2,(H2,18,19)(H3,17,20,21)

InChIKey: DOOFNHYHHTYPTF-UHFFFAOYSA-N

Reference

Exploration of geosmin synthase from Streptomyces peucetius ATCC 27952 by deletion of doxorubicin biosynthetic gene cluster

Diterpenoids from <i>Streptomyces</i> sp. SN194 and Their Antifungal Activity against <i>Botrytis cinerea</i>

PubChem CID: 73837595

COCONUT: CNP0017784.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Gymnodinium catenatum	Gymnodinium	Gymnodiniaceae	Gymnodiniales	Dinophyceae	None	None	Eukaryota

Properties Information

Molecule Weight: 376.37300000000016

TPSA？: 174.01999999999998

MolLogP？: -1.9653599999999984

Number of H-Donors: 8

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi