| Phytochemical Name : Crocetin |
| PCNDIDC0268 |
| Pubchem CID : 5281232 |
| Molecular formula: C20H24O4 |
| Canonical SMILES : CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O |
Synonymes : Crocetin|Transcrocetin|27876-94-4|trans-Crocetin|8,8'-Diapocarotenedioic acid|Transcrocetinate|Natural yellow 6|Transcrocetin [INN]|(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid|8,8'-Diapo-psi,psi-carotenedioic acid|8,8-Diapocarotenedioic acid|Transcrocetinic acid|8,8'-Diapocarotene-8,8'-dioic acid|CCRIS 7484|CI 75100|LEAF-4L7520|Transcrocetin [USAN]|EINECS 248-708-0|NSC 407300|CHEBI:3918|CHEMBL464792|LEAF-4L6715|20TC155L9C|27876-94-4 (free acid)|8,8'-diapo-8,8'-carotenedioic acid|NSC-407300|CI-75100|8,8'-Diapo-.psi.,.psi.-carotenedioic acid|2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (all-E)-|(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioic acid|alpha-Crocetin|.alpha.-Crocetin|8022-19-3|alpha Crocetin|Crocetin aglycon|NSC407300|(2Z,4E,6Z,8E,10Z,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid|CROCETIN [INCI]|CROCETIN [MI]|trans-Crocetin - 98%|Croceic Acid; Transcrocetin|Transcrocetin [USAN:INN]|Saffron C.I. 75100|SCHEMBL20977|UNII-20TC155L9C|TRANSCROCETIN [WHO-DD]|8,8''-diapocarotenedioic acid|CI 75100 [INCI]|DTXSID201015585|HY-N2072|WHO 9931|BDBM50269617|MFCD00017359|MFCD00064590|AKOS022186332|DB05974|LMPR0104010020|8,8''-diapo-psi,psi-carotenedioic acid|8,8''-diapo-8,8''-carotenedioic acid|AC-35087|AS-59348|LS-174200|CS-0018577|C08588|LEAF-4L6715 COMPONENT TRANSCROCETINATE|A819224|8, 8'- diapo- .psi., .psi.- carotenedioic acid|Q-100354|Q2714546|TRANSCROCETINATE LIPOSOMAL COMPONENT OF LEAF-4L6715|2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-|(ALL-E)-2,6,11,15-TETRAMETHYLHEXADECA-2,4,6,8,10,12,14-HEPTAENEDIOIC ACID|2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-,(all-E)-|(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid8,8''-diapocarotene-8,8''-dioic acid|(2Z,4E,6Z,8E,10E,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid;Crocetin|2,4,6,8,10,12,14-HEXADECAHEPTAENEDIOIC ACID, 2,6,11,15-TETRAMETHYL-, (2E,4E,6E,8E,10E,12E,14E)-|504-39-2 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.330 |
| Log Po/w (XLOGP3) : 5.410 |
| Log Po/w (WLOGP) : 4.610 |
| Log Po/w (MLOGP) : 3.520 |
| Log Po/w (SILICOS-IT) : 4.160 |
| Consensus Log Po/w : 4.210 |