UCSF

ZINC85994848

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2013 0 Yes

Popular Name: Prostaglandin d2 Prostaglandin d2

Find On: PubMed — Wikipedia — Google

CAS Number: 41598-07-6

Other Names:

(5e,13e)-9,15-Dihydroxy-11-Oxoprosta-5,13-Dien-1-Oicacid

(5Z,13E)-(15S)-9,15-dihydroxy-11-oxoprosta-5,13-dienoate; (5Z,13E)-(15S)-9,15-dihydroxy-11-oxoprosta-5,13-dienoic acid; (5Z,13E)-(15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dienoate; (5Z,13E)-(15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dienoic acid; (5Z,13E)-(15S

(5Z,13E)-(15S)-9,15-dihydroxy-11-oxoprosta-5,13-dienoate;(5Z,13E)-(15S)-9,15-dihydroxy-11-oxoprosta-5,13-dienoic acid;(5z,13e)-(15S)-9-alpha,15-dihydroxy-11-oxoprosta-5,13-dienoate;(5z,13e)-(15S)-9-alpha,15-dihydroxy-11-oxoprosta-5,13-dienoic acid;(5Z,13E

(5Z,13E)-(15S)-9,15-dihydroxy-11-oxoprosta-5,13-dienoate;(5Z,13E)-(15S)-9,15-dihydroxy-11-oxoprosta-5,13-dienoic acid;(5Z,13E)-(15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dienoate;(5Z,13E)-(15S)-9a,15-Dihydroxy-11-oxoprosta-5,13-dienoic acid;(5Z,13E)-(15S)-9a

(5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate; (5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate; 41598-07-6; C00696; PGD2; Prostaglandin D2

11-Dehydroprostaglandin F2-alpha; BRN 2170623; LS-125822; PGD2; Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, (5Z,9-alpha,13E,15S)-; Prostaglandin D2

11-Dehydroprostaglandin F2-alpha; PGD2

9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid

CHEBI:10916; CHEBI:45044; CHEBI:246; CHEBI:26321

MFCD00077857

PGD2

prostaglandin D2(1-)

Prostaglandin D2; 11-Dehydroprostaglandin F2-alpha; 11-Dehydroprostaglandin F2alpha; (5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate

prostaglandin D2; prostaglandin D2 anion

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) 2.87 7.77 -50.39 2 5 -1 98 351.463 12 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 8.60e-02 g/l DrugBank-experimental
UniProt Database Links AK1C1_HUMAN; AK1C3_HUMAN; AK1C3_PONAB; CTSR1_HUMAN; CTSR2_HUMAN; CTSR3_HUMAN; CTSR4_HUMAN; HPGDS_CHICK; HPGDS_HUMAN; HPGDS_MOUSE; HPGDS_RAT; PD2R2_HUMAN; PD2R2_MOUSE; PD2R2_RAT; PD2RL_RAT; PD2R_BOVIN; PD2R_HUMAN; PD2R_MOUSE; PD2R_RAT; PGFS1_BOVIN; PGFS2_B ChEBI
UniProt Database Links AK1C3_HUMAN; AK1C3_PONAB; HPGDS_CHICK; HPGDS_HUMAN; HPGDS_MOUSE; HPGDS_RAT; PD2R2_HUMAN; PD2R2_MOUSE; PD2R2_RAT; PD2RL_RAT; PD2R_BOVIN; PD2R_HUMAN; PD2R_MOUSE; PD2R_RAT; PGFS1_BOVIN; PGFS2_BOVIN; PGFS_LEIMA; PGFS_TRYBB; PGFS_TRYCC; PTGDS_BOVIN; PTGDS_CANF ChEBI
Patent Database Links EP0945450; EP1016660; EP1084711; EP1176139; EP1295872; EP1424335; EP1547598; EP1671972; EP1743630; EP1911755; US2002022218; US2004054003; US2004220237; US2005004097; US2005101612; US2005107463; US2005124680; US2005165033; US2005165055; US2005272756; US200 ChEBI
Reactome Database Links REACT_150141; REACT_150171; REACT_150186; REACT_150378; REACT_150400; REACT_150443; REACT_15538; REACT_17008; REACT_18313; REACT_18415; REACT_22234; REACT_22239; REACT_22268; REACT_22289; REACT_23779 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
G alpha (i) signalling events
G alpha (s) signalling events
Prostanoid ligand receptors
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)
Transport of organic anions

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

No pre-computed analogs available. Try a structural similarity search.