Cycloheterophyllin

PubChem CID: 5316250

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Compound Synonyms	Cycloheterophyllin, 36545-53-6, 6,7,15-trihydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4,6,8,15,17,21-octaen-13-one, MLS000697580, SMR000470928, cycloheterphyllin, CHEMBL461820, SCHEMBL26679503, BDBM53429, cid_5316250, DTXSID20957840, CHEBI:175844, HMS2269P06, HY-N3667, LBA54553, LMPK12110921, AKOS032961800, FS-9310, NCGC00247520-01, DA-62590, CS-0024025, 2,3,8-Trihydroxy-11,11-dimethyl-13-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H,11H-bis[1]benzopyrano[4,3-b:6',7'-e]pyran-7-one, 9CI, 2,3,8-Trihydroxy-11,11-dimethyl-13-(3-methylbut-2-en-1-yl)-6-(2-methylprop-1-en-1-yl)-6H,7H,11H-[1]benzopyrano[3',4':5,6]pyrano[3,2-g][1]benzopyran-7-one, 6,7,15-trihydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.0^{3,12.0^{4,9.0^{16,21]docosa-1(14),3(12),4,6,8,15,17,21-octaen-13-one, 6H,7H,11H-Bis(1)benzopyrano(4,3-b'':6',7'-e)pyran-7-one, 2,3,8-trihydroxy-11,11-dimethyl-13-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-, (+)-
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	105.0
Hydrogen Bond Donor Count	3.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1C2CC3CCCCC3CC2CC2C3CCCCC3CCC12
Np Classifier Class	Flavones
Deep Smiles	CC=CCccOCC)C)C=Cc6ccc%10oc-cccO)ccc6OCc%10c%14=O)))C=CC)C)))))))O)))))))))O)))))))))))C
Heavy Atom Count	37.0
Classyfire Class	Flavonoids
Description	Isolated from bark of Artocarpus heterophyllus (jackfruit). Cycloheterophyllin is found in jackfruit and fruits.
Scaffold Graph Node Level	OC1C2CC3CCCOC3CC2OC2C3CCCCC3OCC12
Classyfire Subclass	Pyranoflavonoids
Isotope Atom Count	0.0
Molecular Complexity	1040.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P22309, n.a., P10520, O75164, Q16236, C4YTQ8, P83916, O75496, P17405, Q9NUW8, Q03431
Iupac Name	6,7,15-trihydroxy-19,19-dimethyl-22-(3-methylbut-2-enyl)-11-(2-methylprop-1-enyl)-2,10,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4,6,8,15,17,21-octaen-13-one
Prediction Hob	0.0
Class	Flavonoids
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	6.8
Superclass	Phenylpropanoids and polyketides
Subclass	Pyranoflavonoids
Gsk 4 400 Rule	False
Molecular Formula	C30H30O7
Scaffold Graph Node Bond Level	O=c1c2c(oc3cc4c(cc13)C=CCO4)-c1ccccc1OC2
Prediction Swissadme	0.0
Inchi Key	ZZPIXEJZTXAVCX-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.3
Logs	-2.1
Rotatable Bond Count	3.0
State	Solid
Logd	4.034
Synonyms	2,3,8-Trihydroxy-11,11-dimethyl-13-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H,11H-bis[1]benzopyrano[4,3-b:6',7'-e]pyran-7-one, 9CI, 2,3,8-Trihydroxy-11,11-dimethyl-13-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H,11H-bis[1]benzopyrano[4,3-b:6',7'-e]pyran-7-one, 9ci, cycloheterophyllin
Substituent Name	Pyranoflavonoid, Pyranochromene, 2,2-dimethyl-1-benzopyran, Chromone, 1-benzopyran, Benzopyran, 1,2-diphenol, Pyranone, Alkyl aryl ether, Benzenoid, Pyran, Heteroaromatic compound, Vinylogous acid, Polyol, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound
Esol Class	Poorly soluble
Functional Groups	CC=C(C)C, c=O, cC=CC, cO, cOC, coc
Compound Name	Cycloheterophyllin
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	502.199
Formal Charge	0.0
Monoisotopic Mass	502.199
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	502.6
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteropolycyclic compounds
Lipinski Rule Of 5	False
Esol	-7.185490600000001
Inchi	InChI=1S/C30H30O7/c1-14(2)7-8-17-27-16(9-10-30(5,6)37-27)25(33)24-26(34)23-22(11-15(3)4)35-21-13-20(32)19(31)12-18(21)29(23)36-28(17)24/h7,9-13,22,31-33H,8H2,1-6H3
Smiles	CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C(OC5=CC(=C(C=C54)O)O)C=C(C)C)O)C=CC(O2)(C)C)C
Nring	5.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Taxonomy Direct Parent	Pyranoflavonoids
Np Classifier Superclass	Flavonoids

1. Outgoing r'ship FOUND_IN to/from Artocarpus Altilis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Artocarpus Chama (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Artocarpus Champeden (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Artocarpus Communis (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Artocarpus Dadah (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Artocarpus Gomezianus (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
8. Outgoing r'ship FOUND_IN to/from Artocarpus Hirsutus (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Artocarpus Incisa (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Artocarpus Integer (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Artocarpus Integra (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Artocarpus Integrifolia (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Artocarpus Lacucha (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Artocarpus Lakoocha (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Artocarpus Nobilis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Artocarpus Rigidus (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Artocarpus Styracifolius (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Betula Papyrifera (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Boswellia Papyrifera (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Broussonetia Kazinoki (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
22. Outgoing r'ship FOUND_IN to/from Dracocephalum Foetidum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Eryngium Foetidum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Hydnocarpus Kurzii (Plant) Rel Props:Reference:ISBN:9770972795006
25. Outgoing r'ship FOUND_IN to/from Osmanthus Heterophyllus (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Thalictrum Acutifolium (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Thalictrum Alpinum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Thalictrum Atriplex (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Thalictrum Baicalense (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Thalictrum Cultratum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Thalictrum Dasycarpum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Thalictrum Delavayi (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Thalictrum Elegans (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Thalictrum Faberi (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Thalictrum Fauriei (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Thalictrum Fendleri (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Thalictrum Filamentosum (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Thalictrum Flavum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Thalictrum Foetidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
40. Outgoing r'ship FOUND_IN to/from Thalictrum Foliolosum (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Thalictrum Fortunei (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Thalictrum Glandulosissimum (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Thalictrum Glaucum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Thalictrum Hernandezii (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Thalictrum Ichangense (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Thalictrum Incidum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Thalictrum Javanicum (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Thalictrum Longistylum (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Thalictrum Lucidum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Thalictrum Microgynum (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Thalictrum Minus (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Thalictrum Omeiense (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Thalictrum Pedunculatum (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Thalictrum Petaloideum (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Thalictrum Podocarpum (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Thalictrum Polygamum (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Thalictrum Reniforme (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Thalictrum Revolutum (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Thalictrum Rugosum (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Thalictrum Simplex (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Thalictrum Squarrosum (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Thalictrum Strictum (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Viburnum Foetidum (Plant) Rel Props:Reference:

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Cycloheterophyllin

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Phytochemical Properties

Associated Connections 63

Plant Connections 63