UCSF

ZINC31771386

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 22 No

Popular Name: PICROTOXIN PICROTOXIN

Find On: PubMed — Wikipedia — Google

CAS Number: 124-87-8

Other Names:

)-hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-3,6-methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione (1:1)

124-87-8

3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-, compd. with (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-hexahydro-2a-hydroxy-8b-methyl-9-(1-methyl

3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR-(1aalpha,2abeta,3beta,6beta,6abeta,8aS*,8bbeta,9S*))-, compd with (1aR-(1aalpha,2abeta,3beta,6beta,6abeta,8aS*,8b

3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR-(1aalpha,2abeta,3beta,6beta,6abeta,8aS*,8bbeta,9S*))-, compd. with (1aR-(1aalpha,2abeta,3beta,6beta,6

3,6-Methano-8H-1,5,7-trioxacyclopenta(ij)cycloprop(a)azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR-(1aalpha,2abeta,3beta,6beta,6abeta,8aS*,8bbeta,9S*))-, compd. with (1aR-(1aalpha,2abeta,3beta,6beta,6abeta,8aS*,8

3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR,2aR,3S,6R,6aS,8aS,8bR,9S)- & (1aR,2aR,3S,6R,6aS,8aS,8bR,9R

3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, [1aR-(1a.alpha.,2

407

80410_FLUKA

AC1L1LDB

AC1LAQW2

AI3-17689

Ambap124-87-8

C15H16O6.C15H18O7

Caswell No. 663A

CHEMBL506977

CID31304

CID518601

CID6473767

Cocculin

Cocculine

Cocculus

Coques du levant

Coques du levant [French]

CPD000469289

DAP000676

DB00466

EINECS 204-716-6

EPA Pesticide Chemical Code 002301

EU-0100916

Fish berry

HMS2051E09

HSDB 6385

Indian berry

LS-109760

LS-187684

MFCD00074824

MLS001423995

MolPort-003-800-101

MolPort-003-894-698

NCGC00094227-01

NSC 403139

NSC403139

Oriental berry

P 1675

P1675_SIGMA

Picrotin - Picrotoxinin

Picrotin, compd. with picrotoxinin (1:1)

Picrotin, compound with picrotoxinin (1:1)

Picrotox

Picrotoxin (Cocculin) [124-87-8]

Picrotoxin (Compound of one mole Picrotoxinin and one mole Picrotin)

PICROTOXIN; [124-87-8]

Picrotoxine

Picrotoxinin - picrotin

Picrotoxinin, compd. with picrotin (1:1)

Picrotoxinum

SAM001246993

Sesquiterpene

SMR000469289

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.23 -0.56 -16.55 2 7 0 106 310.302 1 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.268 Bitter DB
M.P 200-202 C Indofine Natural Products
M.P 203 °C Indofine Natural Products
PUBCHEM_PATENT_ID EP0030444A2; EP0575496A1; EP0575496B1; US4469685; US5607693; US6008046; WO2000052137A2; WO2000076526A1 IBM Patent Data
SOLUBILITY ethanol: 50 mg/mL, clear to slightly hazy Indofine Natural Products
SOLUBILITY From Anamirta coculus fruits; Antagonist of GABA receptors; Highly toxic Indofine Natural Products
APPEARANCE white to light yellow Indofine Natural Products

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Analogs ( Draw Identity 99% 90% 80% 70% )