Brazilin
PubChem CID: 73384
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| Compound Synonyms | Brazilin, 474-07-7, Superbresiline, Braziletto, Brasilin, Natural Red 24, BRASILINE, (+)-BRAZILIN, c.i. natural red 24, NSC 8661, EINECS 207-477-6, NSC 56652, CHEBI:3170, FZ39SW1K10, (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol, BRAZILIN [MI], 7,11b-Dihydrobenz(b)indeno(1,2-d)pyran-3,6a,9,10(6H)-tetrol, DTXSID80883393, NSC-56652, CI-75280, C.I. 75280, (6aS,11bR)-7,11b-dihydroindeno[2,1-c]chromene-3,6a,9,10(6H)-tetrol, Benz(b)indeno(1,2-d)pyran-3,6a,9,10(6H)-tetrol, 7,11b-dihydro-, (6aS,11bR)-, 7,11b-dihydrobenz[b]indeno[1,2-d]pyran-3,6a,9,10(6h)-tetrol, (6AS,11BR)-7,11B-DIHYDROBENZ(B)INDENO(1,2-D)PYRAN-3,6A,9,10(6H)-TETROL, Benz[b]indeno[1,2-d]pyran-3,6a,9,10(6H)-tetrol, 7,11b-dihydro-, (6aS,11bR)-, UNII-FZ39SW1K10, (6aS,11bR)-7,11b-dihydro-6H-indeno(2,1-c)chromene-3,6a,9,10-tetrol, (6aS,11bR)-7,11b-dihydroindeno(2,1-c)chromene-3,6a,9,10(6H)-tetrol, Brazilin (Standard), MFCD00210817, C.I.Natural Red 24, Brazilin - Bio-X trade mark, SCHEMBL157997, CHEMBL598951, HY-N0072R, UWHUTZOCTZJUKC-JKSUJKDBSA-N, DTXCID101022927, GLXC-10024, HMS3887O03, HY-N0072, s9428, AKOS030573513, CCG-267339, FB74024, AS-56044, BB300040, CS-0007115, C09920, Q3643873, Benz(b)indeno(1,2-d)pyran-3,6a,9,10(6H)-tetrol, 7,11b-dihydro- (VAN), Benz(b)indeno(1,2-d)pyran-3,6a,9,10(6H)-tetrol, 7,11b-dihydro-(VAN) (8CI), Benz(b)indeno(1,2-d)pyran-3,6a,9,10(6H)-tetrol, 7,11b-dihydro-(VAN) (8CI)(9CI), Benz[b]indeno[1,2-d]pyran-3,6a,9,10(6H)-tetrol, 7,11b-dihydro-,(6aS,11bR)-, (1R,10S)-8-oxatetracyclo[8.7.0.0?,?.0??,??]heptadeca-2(7),3,5,12,14,16-hexaene-5,10,14,15-tetrol, Brazilin, Benz[b]indeno[1,2-d]pyran-3,6a,9,10(6H)-tetrol, 7,11b-dihydro-, (6aS,11bR)-, Benz[b]indeno[1,2-d]pyran-3,6a,9,10(6H)-tetrol, 7,11b-dihydro-, (6aS-cis)- (7CI,8CI), Brazilin (6CI), (+)-Brazilin, (6aS,11bR)-7,11b-Dihydrobenz[b]indeno[1,2-d]pyran-3,6a,9,10(6H |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 415.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UWHUTZOCTZJUKC-JKSUJKDBSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.405 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.816 |
| Compound Name | Brazilin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.014311742857142 |
| Inchi | InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2/t15-,16+/m0/s1 |
| Smiles | C1C2=CC(=C(C=C2[C@H]3[C@@]1(COC4=C3C=CC(=C4)O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Biancaea Sappan (Plant) Rel Props:Source_db:cmaup_ingredients