| Phytochemical Name : Cytochalasin B |
| PCNDIDC0331 |
| Pubchem CID : 5311281 |
| Molecular formula: C29H37NO5 |
| Canonical SMILES : CC1CCCC(C=CC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)O |
Synonymes : CYTOCHALASIN B|Phomin|14930-96-2|cytochalasin-B|CHEBI:23527|C29H37NO5|Cytochalasin B (Phomin)|UNII-3CHI920QS7|MLS000028816|3CHI920QS7|CCRIS 9284|NSC-107658|SMR000058787|Cytochalasin beta,helminthosporium dematioideum|(1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione|HSDB 3479|EINECS 239-000-2|24-Oxa(14)cytochalasa-6(12),13,21-triene-1,23-dione, 7,20-dihydroxy-16-methyl-10-phenyl-, (7S,13E,16R,20R,21E)-|BRN 1096207|(4Z,12Z)-19-Benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione|2H-Oxacyclotetradecino(2,3-d)isoindole-2,18(5H)-dione, 6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-, (3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-|MLS002703001|Biostent|Preverex|C29-H37-N-O5|NSC107658|7,20-Dihydroxy-10-phenyl-5,16-dimethyl-24-oxa-(14)cytochalas-6(12),13,21-trien-23-one|(E,E)-(5S,9R,12aS,13S,15S,15aS,16S,18aS)-16-Benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-2H-oxacyclotetradec(2,3-d)isoindole-2,18(5H)-dione|2H-Oxacyclotetradec(2,3-d)isoindole-2,18(5H)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-, (E,E)-(5S,9R,12aS,13S,15S,15aS,16S,18aS)-|MFCD00077704|ROTHWEILER|Cytochalasin B from Drechslera dematioidea|Opera_ID_1877|Spectrum5_001780|D0DJ4A|CYTOCHALASIN B [MI]|BSPBio_001600|MLS001148651|CYTOCHALASIN B [HSDB]|Cytochalasin B containing stent|CHEMBL411729|GTPL5334|SCHEMBL20063279|BCBcMAP01_000011|DTXSID30893482|REGID_for_CID_5311281|HMS1361P22|HMS1791P22|HMS1989P22|HMS3402P22|24-Oxa[14]cytochalasa-6(12),13,21-triene-1,23-dione, 7,20-dihydroxy-16-methyl-10-phenyl-, (7S,13E,16R,20R,21E)-|2H-Oxacyclotetradec(2,3-d)isoindole-2,18(5H)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-, (E)-(5S,9R,12aS,13S,15S,15aS,16aS,18aS)-|2H-Oxacyclotetradecino(2,3-d)isoindole-2,18(5H)-dione, 16-benzyl-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-, (E,E)-(5S,9R,12aS,13S,15S,15aS,16S,18aS)-|7(S),20(R)-Dihydroxy-16(R)-methyl-10-phenyl-24-oxa(14)cytochalasa-6(12),13(E),21(E)-triene-1,23-dione|7(S),20(R)-dihydroxy-16(R)-methyl-10-phenyl-24-oxa[14]cytochalasa-6(12),13(E),21(E)-triene-1,23-dione|BDBM50478403|CCG-39777|LMPK11000002|AKOS025311470|IDI1_034070|NCGC00163439-01|NCGC00163439-02|HY-16928|CS-0012975|C19954|Cytochalasin B from Helminthosporium dematioideum|W-201323|Q26998028|Cytochalasin B from Drechslera dematioidea, >=97.0% (HPLC)|Cytochalasin B from Drechslera dematioidea, >=98% (HPLC), powder|(3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(5H)-dione|(3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-6,7,8,9,10,12a,13,14,15,15a,16,17-Dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-16-(phenylmethyl)-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(5H)-dione|(3S,3aS,4S,6S,6aS,7E,10R,14R,15E,181S)-3-benzyl-6,14-dihydroxy-4,10-dimethyl-5-methylene-3,3a,4,5,6,6a,9,10,11,12,13,14-dodecahydro-1H-[1]oxacyclotetradeca[2,3-d]isoindole-1,17(2H)-dione|11032-95-4|2H-OXACYCLOTETRADECINO(2,3-D)ISOINDOLE-2,18(5H)-DIONE, 16-BENZYL-6,7,8,9,10,12A,13,14,15,15A,16,17-DODECAHYDRO-5,13-DIHYDROXY-9,15-DIMETHYL-14-METHYLENE-, (E,E)-(5R,9R,12AS,13S,15S,15AS,16S,18AS)-|2H-OXACYCLOTETRADECINO(2,3-D)ISOINDOLE-2,18(5H)-DIONE, 6,7,8,9,10,12A,13,14,15,15A,16,17-DODECAHYDRO-5,13-DIHYDROXY-9,15-DIMETHYL-14-METHYLENE-16-(PHENYLMETHYL)-, (5R-(3E,5R*,9R*,11E,12AS*,13S*,15S*,15AS*,16S*,18AS*))- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 0.740 |
| Log Po/w (XLOGP3) : -0.610 |
| Log Po/w (WLOGP) : -1.320 |
| Log Po/w (MLOGP) : -1.480 |
| Log Po/w (SILICOS-IT) : -0.720 |
| Consensus Log Po/w : -0.680 |

