| Phytochemical Name : Indigo |
| PCNDIDI0014 |
| Pubchem CID : 10215 |
| Molecular formula: C16H10N2O2 |
| Canonical SMILES : C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O |
Synonymes : INDIGO|482-89-3|Indigotin|Indigo Blue|Vat blue 1|Cystoceva|Diindogen|Vulcafix Blue R|Indigo Pure BASF|Indigo Ciba|Indigo Synthetic|Synthetic Indigo|Indigo J|Indigo N|Indigo P|Indigo Powder W|Vulcafor Blue A|Vynamon Blue A|Indigo VS|Indigo Ciba SL|Indigo NAC|Indigo PLN|Indigo NACCO|C.I. Vat Blue 1|Mitsui Indigo Pure|Mitsui Indigo Paste|indigo dye|Synthetic Indigo TS|Vulcol Fast Blue GL|Lithosol Deep Blue B|Vulcanosine Dark Blue L|D&C Blue No. 6|Indigo (synthetic)|Blue No. 201|D and C Blue No. 6|Lithosol deep blue V|Indigo,natural|Indigo Pure BASF Powder K|11669 Blue|Monolite Fast Navy Blue BV|Modr kypova 1|Indigo (VAN)|CI 73000|CI Vat Blue 1|3H-Indol-3-one, 2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-|C.I. 73000|Indigo Naturalis|Modr Kypova 1 [Czech]|NCI-C61392|delta2,2'-Bipseudoindoxyl|(2,2'-Biindoline)-3,3'-dione|D & C Blue No. 6|12626-73-2|68651-46-7|Indigo (dye)|Indigo [HPUS]|Indigo [HSDB]|Indigo [MI]|CCRIS 4379|indigo blue (powder)|C.I Vat blue 1|HSDB 4372|delta(sup 2,2')-Bipseudoindoxyl|AO201|D&C Blue No.6|D&C Blue 6|D+C Blue No. 6|NSC 8645|NSC-8645|EINECS 207-586-9|D And C Blue Number 6|BRN 0088275|UNII-1G5BK41P4F|2-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one|(2E)-2-(3-oxo-1H-indol-2-ylidene)-1H-indol-3-one|AI3-09080|C.I.73000|D&C Blue No. 6 [II]|1G5BK41P4F|AO201 [INCI]|CHEMBL599552|.DELTA.2,2'-Bipseudoindoxyl|2-(3-hydroxy-1H-indol-2-yl)indol-3-one|DTXSID3026279|(delta2,2'(3H,3'H)-Biindole)-3,3'-dione|CI 73000 [INCI]|(delta2,2'-Biindoline)-3,3'-dione|NCGC00163355-01|2,2'-Biindole-3,3'(1H,1'H)-dione|(delta(sup 2,2')-Biindoline)-3,3'-dione|(Z)-[2,2'-Biindolinylidene]-3,3'-dione|1H,1'H-[2,2']Biindolylidene-3,3'-dione|2-(1,3-Dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one|EC 207-586-9|5-24-08-00503 (Beilstein Handbook Reference)|64784-13-0|DTXCID101022739|2-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-o- ne|2001554-70-5|CAS-482-89-3|SMR000857361|(2E)-2,2'-biindole-3,3'(1H,1'H)-dione|Indigoblau|cis-indigo|indigo B|Indigo, synthetic|Indigotin (natural)|Indigo,(S)|MFCD00005722|D & C blue No 6|INDIGO [WHO-DD]|[.DELTA.2,3'-dione|(2E)-2-(3-oxoindolin-2-ylidene)indolin-3-one|SCHEMBL42280|SCHEMBL56085|MLS001335921|MLS001335922|CHEMBL35479|MEGxp0_001924|Indigo (C.I. 73000)|SCHEMBL23064865|ACon1_002192|COHYTHOBJLSHDF-BUHFOSPRSA-|NSC8645|CHEBI:177687|BCP26169|HY-N0335|Tox21_112052|Tox21_202545|BDBM50310357|LS-131|s3876|AKOS015900171|AKOS015955899|Indigo, synthetic, Dye content 95 %|Tox21_112052_1|AC-8002|CCG-267072|[2,2'-Biindolinylidene]-3,3'-dione|[delta-2,2'-biindoline]-3,3'-dione|CID 5354391|NCGC00091633-01|NCGC00163355-02|NCGC00163355-03|NCGC00163355-04|NCGC00163355-05|NCGC00260094-01|[(D)(2,2')-Biindoline]-3,3'-dione|2-(3-oxoindolin-2-ylidene)indolin-3-one|(.DELTA.2,2'-Biindoline)-3,3'-dione|(E)-[2,2'-Biindolinylidene]-3,3'-dione|[.DELTA.2,3'H)-Biindole]-3,3'-dione|CS-0008896|FT-0627197|I0212|VAT BLUE 1 (INDIGO C.I. 73000)|A14526|Q422662|SR-01000941903|(.DELTA.2,2'(3H,3'H)-Biindole)-3,3'-dione|2-(3-Hydroxy-2H-indol-2-ylidene)-2H-indol-3-ol|Indigo, EuropePharmacopoeia (EP) Reference Standard|J-521528|SR-01000941903-2|(.DELTA.(SUP 2,2')-BIINDOLINE)-3,3'-DIONE|3-CARBOXY-1,4-DIMETHYL-1H-PYRROLE-2-ACETICACID|3H-indol-3-ona, 2-(1,3-dihidro-3-oxo-2H-indol-2-iliden)-1,2-dihidro-|(2,2 inverted exclamation mark -biindoline)-3,3 inverted exclamation mark -dione|3H-Indol-3-one, 2-(1,3-dihydro-3-oxo-2H-indol- 2-ylidene)-1,2-dihydro-|2- (1, 3- dihydro- 3- oxo- 2H- indazol- 2- ylidene)- 1, 2- dihydro- 3H- indol- 3- one |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.190 |
| Log Po/w (XLOGP3) : 2.730 |
| Log Po/w (WLOGP) : 2.810 |
| Log Po/w (MLOGP) : 1.290 |
| Log Po/w (SILICOS-IT) : 4.100 |
| Consensus Log Po/w : 2.630 |

