UCSF

ZINC26671872

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 42 No

Popular Name: protoporphyrin ix protoporphyrin ix

Find On: PubMed — Wikipedia — Google

CAS Numbers: 15442-64-5 , 50865-01-5 , 553-12-8 , [553-12-8]

Other Names:

(protoporphyrinato)iron; Ferroheme; Ferroheme b; Ferroprotoheme; Ferroprotoporphyrin; Ferroprotoporphyrin IX; Ferrous protoheme; Ferrous protoheme IX; Haem; Hem; Heme; Iron protoporphyrin; Iron protoporphyrin IX; Iron(II) protoporphyrin IX; Protoferroheme

2,18-Porphinedipropionic acid, 3,8,13,17-tetramethyl-7,12-divinyl-; 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-3,8,13,17-tetramethyl-; 3,3'-(3,7,12,17-Tetramethyl-8,13-divinylporphine-2,18-diyl)di(propionic acid); EINECS 209-033-7; LS-186747

21H,23H-Porphine-2,18-dipropanoic acid, 7,12-diethenyl-3,8,13,17-tetramethyl-, disodium salt; Disodium 1,3,5,8-tetramethyl-2,4-divinylporphine-6,7-dipropionate; Disodium 3,8,13,17-tetramethyl-7,12-divinyl-21H,23H-porphine-2,18-dipropionate; Disodium proto

3,3'-(3,7,12,17-tetramethyl-8,13-divinyl-21H,23H-porphine-2,18-diyl)-bis-propionate; 3,3'-(3,7,12,17-tetramethyl-8,13-divinyl-21H,23H-porphine-2,18-diyl)-bis-propionic acid; 3,3'-(3,7,12,17-tetramethyl-8,13-divinylporphine-2,18-diyl)di; Kammerer's prophyr

3,3'-(3,7,12,17-Tetramethyl-8,13-divinyl-21H,23H-porphine-2,18-diyl)-bis-propionate;3,3'-(3,7,12,17-Tetramethyl-8,13-divinyl-21H,23H-porphine-2,18-diyl)-bis-propionic acid;3,3'-(3,7,12,17-Tetramethyl-8,13-divinylporphine-2,18-diyl)di;Kammerer'S prophyrin

3,3'-(3,7,12,17-tetramethyl-8,13-divinyl-21H,23H-porphine-2,18-diyl)-bis-propionic acid; 3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoic acid; H2ppIX; Kammerer's prophyrin; PROTOPORPHYRIN IX; ooporphyrin

50865-01-5; D02265; Prolmon (TN); Protoporphyrin disodium (JAN)

AI3-18784; CCRIS 7061; EINECS 240-140-1; Ferrate(2-), chloro(7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen; Ferrate(2-), chloro(7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropan

Bovine hemin; Dihydrogen hydroxy(3,8,13,17-tetramethyl-7,12-divinyl-21H,23H-porphine-2,18-dipropionato(4-)-N21,N22,N23,N24)ferrate(2-); EINECS 239-518-9; Ferrihemate; Ferriheme; Ferriheme hydroxide; Ferrihemic acid; Ferriporphyrin hydroxide; Ferriprotopor

C03516; Magnesium protoporphyrin; Magnesium protoporphyrin IX; Mg-protoporphyrin IX

CHEBI:14961; CHEBI:14959; CHEBI:14960; CHEBI:26358; CHEBI:8592

DNC001154

Haem arginate; Heme arginate; LS-74019; Normosang

Heme

LS-187775

LS-191608

MFCD00011612

MFCD00151108

Mg-protoporphyrin; Mg-protoporphyrin IX; MgP; magnesium protoporphyrin

ppIX; ppIX(2-); protoporphyrinate IX

Protoporphyrin

Protoporphyrin Disodium (JAN)

Protoporphyrin Disodium Salt

Protoporphyrin IX zinc(II)

protoporphyrin(2-)

protoporphyrinate

Zinc protoporphyrin

Zinc protoporphyrin, 96%

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 7.70 18.94 -122.76 4 8 0 140 562.67 8 ↓
Ref Reference (pH 7) 7.70 18.93 -122.4 4 8 0 140 562.67 8 ↓
Ref Reference (pH 7) 7.70 18.9 -121.53 4 8 0 140 562.67 8 ↓

Vendor Notes

Note Type Comments Provided By
mp 119 MolMall (formerly Molecular Diversity Preservation International)
ALOGPS_SOLUBILITY 2.26e-02 g/l DrugBank-experimental
UniProt Database Links AB8I_ARATH; ACSF1_NOSS1; ACSF1_SYNY3; ACSF1_THEEB; ACSF2_NOSS1; ACSF2_SYNY3; ACSF2_THEEB; ACSF3_NOSS1; ACSF_BRASB; ACSF_BRASO; ACSF_CYACA; ACSF_CYAME; ACSF_GLOVI; ACSF_GRATL; ACSF_PORPU; ACSF_PROM0; ACSF_PROM2; ACSF_PROM3; ACSF_PROM4; ACSF_PROM5; ACSF_PRO ChEBI
UniProt Database Links ABCG2_BOVIN; ABCG2_HUMAN; ABCG2_MACMU; ABCG2_MOUSE; ABCG2_PIG; ABCG2_RAT ChEBI
Patent Database Links EP1421938; EP1510225; EP1679083; EP1742038; EP1797903; US2003118715; US2005137180; US2007218465; US2007231375; US2008108701; WO2007092998; WO2007114843; WO2007127172 ChEBI
Therapy hepatoprotectant SMDC MicroSource
Reactome Database Links REACT_9393; REACT_9418; REACT_9461 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 2170 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50607 Z50607 Human Immunodeficiency Virus 1 2170 0.19 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Heme biosynthesis
Heme synthesis

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

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