Cytochalasin D
PubChem CID: 5458428
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| Compound Synonyms | cytochalasin D, 22144-77-0, Zygosporin A, Cytohalasin D, Lygosporin A, UNII-SY9F0FZ3TO, SY9F0FZ3TO, HSDB 3549, EINECS 244-804-1, MFCD00077706, NSC 209835, (-)-CYTOCHALASIN D, CYTOCHALASIN D [HSDB], (11)Cytochalasa-6(12),13,19-triene-1,17-dione, 21-(acetyloxy)-7,18-dihydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E,21R)-, NSC209835, NSC-209835, 1H-Cycloundec(d)isoindole-1,11(2H)-dione, 3-benzyl-3,3-alpha4,5,6,6-alpha,9,10,12,15-decahydro-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylene-, 15-acetate, [(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate, [11]Cytochalasa-6(12),13,19-triene-1,17-dione, 21-(acetyloxy)-7,18-dihydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,18R,19E,21R)-, 1H-Cycloundec(d)isoindole-1,11(2H)-dione, 15-(acetyloxy)-3,3a,4,5,6,6a,9,10,12,15-decahydro-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-, (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-, 1H-Cycloundec(d)isoindole-1,11(2H)-dione, 15-(acetyloxy)-3,3a,4,5,6,6a,9,10,12,15-decahydro-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-, (3S-(3R*,3aS*,4R*,6R*,6aS*,7E,10R*,12S*,13E,15S*,15aS*))-, 1H-Cycloundec(d)isoindole-1,11(2H)-dione, 3-benzyl-3,3-alpha,4,5,6,6-alpha,9,10,12,15-decahydro-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylene-, 15-acetate, 7,18-Dihydroxy-10-phenyl-5,16,18-trimethyl-(11)cytochalas-21-acetoxy-6(12),13,19-trien-17-one, DTXSID8037099, CHEBI:529996, 3eks, ((1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo(9.7.0.01,15)octadeca-3,9-dien-2-yl) acetate, ((1R,2R,3E,5R,7S,9E,11R,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo(9.7.0.01,15)octadeca-3,9-dien-2-yl) acetate, (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R)-3-Benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca(d)isoindol-15-yl acetate, (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R)-3-Benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate, (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca(d)isoindol-15-yl acetate, (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-Benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate, [(1R,2R,3E,5R,7S,9E,11R,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate, 1H-CYCLOUNDEC[D]ISOINDOLE-1,11(2H)-DIONE, 15-(ACETYLOXY)-3,3A,4,5,6,6A,9,10,12,15-DECAHYDRO-6,12-DIHYDROXY-4,10,12-TRIMETHYL-5-METHYLENE-3-(PHENYLMETHYL)-, [3S-(3R*,3AS*,4R*,6R*,6AS*,7E,10R*,12S*,13E,15S*,15AS*)]-, 3-Benzyl-1,6,12-trihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3H,4H,5H,6H,6ah,9H,10H,11H,12H,15H,15BH-cycloundeca(e)isoindol-15-yl acetic acid, 3-Benzyl-1,6,12-trihydroxy-4,10,12-trimethyl-5-methylidene-11-oxo-3H,4H,5H,6H,6ah,9H,10H,11H,12H,15H,15BH-cycloundeca[e]isoindol-15-yl acetic acid, 3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-1H,2H,3H,4H,5H,6H,6aH,9H,10H,11H,12H,15H,15bH-cycloundeca(e)isoindol-15-yl acetate, 3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-1H,2H,3H,4H,5H,6H,6aH,9H,10H,11H,12H,15H,15bH-cycloundeca[e]isoindol-15-yl acetate, SCHEMBL33529, CHEMBL260287, DTXCID6017099, SDZRWUKZFQQKKV-JHADDHBZSA-N, HY-N6682, EX-A10663, AKOS030213128, FC29349, Cytochalasin D, from Zygosporium mansonii, CS-0012977, NS00011653, F82057, Q5201339, 7,18-DIHYDROXY-10-PHENYL-5,16,18-TRIMETHYL-, (benzyl-dihydroxy-trimethyl-methylene-dioxo-[?]yl) acetate, Cytochalasin D, from Zygosporium mansonii, >=98% (TLC and HPLC), powder, 7,18Dihydroxy10phenyl5,16,18trimethyl(11)cytochalas21acetoxy6(12),13,19trien17one, (11)Cytochalasa6(12),13,19triene1,17dione, 21(acetyloxy)7,18dihydroxy16,18dimethyl10phenyl, (7S,13E,16S,18R,19E,21R), (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,151R)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate, 1H-Cycloundec[d]isoindole-1,11(2H)-dione, 15-(acetyloxy)-3,3a,4,5,6,6a,9,10,12,15-decahydro-6-12-dihydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-, (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-, 1HCycloundec(d)isoindole1,11(2H)dione, 3benzyl3,3alpha4,5,6,6alpha,9,10,12,15decahydro6,12,15trihydroxy4,10,12trimethyl5methylene, 15acetate, 244-804-1, 3-BENZYL-3,3-ALPHA,4,5,6,6-ALPHA,9,10,12,15-DECAHYDRO-6,12,15-TRIHYDROXY-4,10,12-TRIMETHYL-5-METHYLENE-1H-CYCLOUNDEC(D)ISOINDOLE-1,11(2H)DIONE 15-ACETATE, 7(S),18(R)-Dihydroxy-16(S),18-dimethyl-10-phenyl(11)cytochalasa-6(12),13(E),19(E)-triene-1,17-dione 21(R)-acetate |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 37.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 996.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | [(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate |
| Prediction Hob | 0.0 |
| Xlogp | 2.7 |
| Molecular Formula | C30H37NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDZRWUKZFQQKKV-JHADDHBZSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.528 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.644 |
| Compound Name | Cytochalasin D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 507.262 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 507.262 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 507.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.651387400000002 |
| Inchi | InChI=1S/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17-18,22-26,33,36H,3,10,16H2,1-2,4-5H3,(H,31,35)/b13-9+,15-14+/t17-,18+,22-,23-,24+,25-,26+,29+,30+/m0/s1 |
| Smiles | C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achyranthes Obtusifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Achyrocline Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Alhagi Maurorum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Allium Angulosum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Anemone Thalictroides (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Desmodium Pulchellu (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Erythrophleum Chlorostachys (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Goniothalamus Dolichocarpus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Guettarda Platypoda (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Helicia Nilagirica (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Lobelia Inflata (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Phaleria Macrocarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Picea Jezoensis (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Pistacia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Pulicaria Insignis (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Sapium Indicum (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Taxus Mairei (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Tecoma Undulata (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Vernonia Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients