3,3'-Diindolylmethane
PubChem CID: 3071
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3,3'-Diindolylmethane, 1968-05-4, diindolylmethane, di(1H-indol-3-yl)methane, 3,3'-Methylenebis-1H-indole, 3,3'-Methylenediindole, DIM, 1H-Indole, 3,3'-methylenebis-, 3-(1H-indol-3-ylmethyl)-1H-indole, Plant Indole, ARUNDINE, 3,3-Diindolylmethane, 33'-Diindolylmethane, 3,3'-Diindolymethane, Infemin, 3,3'-methylenebis(1H-indole), 3,3'-Di-indolylmethane, SSZ9HQT61Z, bis-1H-indol-3-ylmethane, MFCD00195766, CCRIS 5806, Di(3-indolyl)methane, CHEBI:50182, 3,3'-methanediylbis(1H-indole), DIINDOLYLMETHANE [VANDF], 3,3 inverted exclamation marka-Diindolylmethane, DIINDOLYLMETHANE, 3,3'-, HB 236, 3,3,-diindolylmethane, 3,3'-DIINDOLYLMETHANE [WHO-DD], Diidolylmethane, 3-(1H-Indol-3-ylmethyl)-1H-indole, 3,3'-Methylenebis-1H-indole, 33diindolylmethyle, Di-Indoly Methane, DIM-Plus, Di-3-indolylmethane, NSC708486, DIMPRO, 3-3-diindolylmethane, Bis (3-indolyl)methane, Spectrum2_001711, Spectrum3_001989, Spectrum5_001955, UNII-SSZ9HQT61Z, DIM, Arundine, HB 236, CBiol_001839, Oprea1_472633, Oprea1_740951, BSPBio_001290, BSPBio_003589, CBDivE_010856, KBioGR_000010, KBioSS_000010, MLS006011847, SCHEMBL325162, SPECTRUM1505331, SPBio_001722, 3-3'-DIINDOLYLMETHANE, 3,3'-di(indol-3-yl)methane, BML3-F11, CHEMBL446452, DTXSID8037047, 3,3'-Diindolymethane (natural), GTPL11208, KBio2_000010, KBio2_002578, KBio2_005146, KBio3_000019, KBio3_000020, KBio3_003002, 3,3'-Diindolymethane (synthetic), Bio1_000125, Bio1_000614, Bio1_001103, Bio2_000010, Bio2_000490, HMS1361A12, HMS1791A12, HMS1989A12, HMS3402A12, 3,3'-Diindolylmethane (Standard), ALBB-016048, BCP00470, CCG-39861, GR-207, HSCI1_000069, HY-15758R, s4728, STK263696, AKOS003627372, CS-1652, DB11875, FD14886, FD14887, KS-5266, NSC-708486, SB16901, IDI1_033760, NCGC00095348-01, NCGC00095348-02, NCGC00095348-03, NCGC00095348-04, NCGC00095348-05, NCGC00095348-06, NCGC00095348-07, 3-[(1H-indol-3-yl)methyl]-1H-indole, AC-11611, HY-15758, NCI60_038418, SMR001828114, SY038972, 3,3'-Diindolylmethane, >=98% (HPLC), 3,3'-Diindolylmethane, analytical standard, DB-011102, M1399, NS00026401, EN300-1717487, Q4634053, BRD-K37846922-001-05-2, BRD-K37846922-001-06-0, BRD-K37846922-001-09-4, Z56791159, 3,3'-Diindolylmethane, di(1H-indol-3-yl)methane, 3,3'-methylene-bisindole |
|---|---|
| Topological Polar Surface Area | 31.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., Q9NUW8, P10636, P02791, Q03164, P08684, E9BRC0, E9B7X3, Q96KQ7, P11473, P49798, O94782, O42275, P81908, Q9Y6L6, Q9NPD5, Q9NQS5, P30561, P0DTD1, Q8CIM5 |
| Iupac Name | 3-(1H-indol-3-ylmethyl)-1H-indole |
| Prediction Hob | 1.0 |
| Class | Indoles and derivatives |
| Target Id | NPT50, NPT51, NPT109 |
| Xlogp | 4.3 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Indoles |
| Molecular Formula | C17H14N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VFTRKSBEFQDZKX-UHFFFAOYSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -4.619 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.919 |
| Synonyms | 3,3'-Methylenebis-1H-indole, Bis-1H-indol-3-ylmethane, DIM, 2,2'-Methylenebis(1H-indole), Diindolylmethane |
| Compound Name | 3,3'-Diindolylmethane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.116 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 246.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -4.519193231578947 |
| Inchi | InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2 |
| Smiles | C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 3-alkylindoles |
- 1. Outgoing r'ship
FOUND_INto/from Arundo Donax (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all