| Phytochemical Name : Brazilin |
| PCNDIDB0134 |
| Pubchem CID : 73384 |
| Molecular formula: C16H14O5 |
| Canonical SMILES : C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4)O)O)O)O |
Synonymes : Brazilin|474-07-7|Brasilin|Superbresiline|Braziletto|Natural Red 24|BRASILINE|(+)-BRAZILIN|NSC 8661|EINECS 207-477-6|NSC 56652|UNII-FZ39SW1K10|CHEBI:3170|FZ39SW1K10|(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol|Benz(b)indeno(1,2-d)pyran-3,6a,9,10(6H)-tetrol, 7,11b-dihydro-|(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|c.i. natural red 24|NSC-56652|Benz[b]indeno[1,2-d]pyran-3,6a,9,10(6H)-tetrol, 7,11b-dihydro-, (6aS,11bR)-|C.I.Natural Red 24|BRAZILIN [MI]|SCHEMBL157997|7,11b-dihydrobenz[b]indeno[1,2-d]pyran-3,6a,9,10(6h)-tetrol|CHEMBL598951|DTXSID80883393|(6aS,11bR)-7,11b-Dihydrobenz-nu[b]indeno[1,2-d]pyran-3,6a,9,10(6H)-tetrol|HMS3887O03|HY-N0072|MFCD00210817|s9428|AKOS030573513|CCG-267339|AS-56044|CI-75280|LS-33433|C.I. 75280|CS-0007115|C09920|Q3643873|Benz(b)indeno(1,2-d)pyran-3,6a,9,10(6H)-tetrol, 7,11b-dihydro- (VAN)|(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- (VAN) (8CI)|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 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.530 |
| Log Po/w (XLOGP3) : 1.550 |
| Log Po/w (WLOGP) : 1.610 |
| Log Po/w (MLOGP) : 1.040 |
| Log Po/w (SILICOS-IT) : 1.860 |
| Consensus Log Po/w : 1.520 |