| Phytochemical Name : C.I. Natural Red 20 |
| PCNDIDC0001 |
| Pubchem CID : 5208 |
| Molecular formula: C16H16O5 |
| Canonical SMILES : CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C |
Synonymes : shikonin|54952-43-1|SHIKALKIN|C.I. Natural Red 20|(+-)-Shikonin|(+/-)-Alkannin|ARNEBIN-4|(Rac)-Shikonin|5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione|Anchusin|(+-)-Alkannin|Shikonine|Alkanna Red|C.I. 75530|NSC94524|(+)-Shikonin|NSC252844|NSC407295|NSC 291845|(+/-)-Shikonin|C16H16O5|1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-|5,8-Dihydroxy-6-(1-hydroxy-4-methylpent-3-en-1-yl)naphthalene-1,4-dione|1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)- (9CI)|shikonin, (+)-isomer|C.I. 75535|C.I. 75535;Isoarnebin 4|Gromwell|1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (S)-|1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (-)-|1, 5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-, (-)-|NSC-94524|NSC-252844|natural red 20|Shikonin (7b)|(+-)-Shikalkin|ALKANNIN, 1-|KBioGR_000610|KBioSS_000610|CHEMBL29285|SCHEMBL3182028|Shikonin, >=98% (HPLC)|SCHEMBL14305203|KBio2_000610|KBio2_003178|KBio2_005746|KBio3_001079|KBio3_001080|NEZONWMXZKDMKF-UHFFFAOYSA-|DTXSID00862100|1,4-Naphthalenedione, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (R)-|1,4-NAPHTHOQUINONE, 5,8-DIHYDROXY-2-(1-HYDROXY-4-METHYL-3-PENTENYL)-, (+)-|5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione|CHEBI:174748|BDBM178090|Bio2_000475|Bio2_000955|HMS1362P11|BCP29329|BCP34282|HY-N6004|NSC291845|5,8-dihydroxy-2-(1-hydroxy-4-methyl-pent-3-enyl)naphthalene-1,4-dione|AKOS016034343|( inverted exclamation markA)-Shikonin|NSC-291845|NSC-407295|IDI1_002230|QTL1_000075|SMP2_000188|LS-95639|LS-95640|NCI60_002031|CS-0032051|FT-0651798|FT-0746742|FT-0774471|H1780|(-)-Shikonin;C.I. 75535; Isoarnebin 4|3-(2,2-Dimethylpropionylamino)isonicotinicacid|Q-100621|1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-|1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (R)-|1, 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-, (+)-|5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone|5,8-DIHYDROXY-2-(1-HYDROXY-4-METHYLPENT-3-EN-1-YL)NAPHTHALENE-1,4-DIONE|11019-15-1|8001-98-7|85921-41-1 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.430 |
| Log Po/w (XLOGP3) : 2.960 |
| Log Po/w (WLOGP) : 2.120 |
| Log Po/w (MLOGP) : 0.420 |
| Log Po/w (SILICOS-IT) : 2.480 |
| Consensus Log Po/w : 2.080 |