Macaflavone II

PubChem CID: 44258686

Connections displayed (default: 10).

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Compound Synonyms	Macaflavone II, 8-(3,4-dihydroxyphenyl)-7-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano(3,2-g)chromen-6-one, 8-(3,4-dihydroxyphenyl)-7-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one, LMPK12111565, 102822-11-7
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	85.2
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC(C2CCCCC2)CC2CC3CCCCC3CC12
Np Classifier Class	Flavonols
Deep Smiles	COccoccc6=O))cccc6CC=CC)C)))))OCC=C6))C)C)))))))))cccccc6)O))O
Heavy Atom Count	32.0
Classyfire Class	Flavonoids
Scaffold Graph Node Level	OC1CC(C2CCCCC2)OC2CC3OCCCC3CC12
Classyfire Subclass	Flavones
Isotope Atom Count	0.0
Molecular Complexity	820.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	8-(3,4-dihydroxyphenyl)-7-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	5.5
Gsk 4 400 Rule	False
Molecular Formula	C26H26O6
Scaffold Graph Node Bond Level	O=c1cc(-c2ccccc2)oc2cc3c(cc12)C=CCO3
Prediction Swissadme	1.0
Inchi Key	TVRDYVMRUJAIJL-UHFFFAOYSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.2692307692307692
Logs	-4.482
Rotatable Bond Count	4.0
Logd	3.627
Synonyms	macaflavone ii
Esol Class	Poorly soluble
Functional Groups	CC=C(C)C, c=O, cC=CC, cO, cOC, coc
Compound Name	Macaflavone II
Prediction Hob Swissadme	1.0
Exact Mass	434.173
Formal Charge	0.0
Monoisotopic Mass	434.173
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	434.5
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-5.739425600000001
Inchi	InChI=1S/C26H26O6/c1-14(2)6-8-17-22-16(10-11-26(3,4)32-22)12-18-21(29)25(30-5)23(31-24(17)18)15-7-9-19(27)20(28)13-15/h6-7,9-13,27-28H,8H2,1-5H3
Smiles	CC(=CCC1=C2C(=CC3=C1OC(=C(C3=O)OC)C4=CC(=C(C=C4)O)O)C=CC(O2)(C)C)C
Nring	2.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Flavonoids

1. Outgoing r'ship FOUND_IN to/from Adina Cordifolia (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Alchornea Cordifolia (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Basella Cordifolia (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Erlangea Cordifolia (Plant) Rel Props:Reference:
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11. Outgoing r'ship FOUND_IN to/from Indigofera Cordifolia (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Macaranga Bicolor (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Macaranga Conifera (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Macaranga Denticulata (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Macaranga Indica (Plant) Rel Props:Reference:ISBN:9770972795006
16. Outgoing r'ship FOUND_IN to/from Macaranga Peltata (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Macaranga Roxburghi (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Macaranga Tanarius (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Macaranga Triloba (Plant) Rel Props:Reference:
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24. Outgoing r'ship FOUND_IN to/from Ochrosia Borbonica (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Ochrosia Confusa (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Ochrosia Elliptica (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Ochrosia Oppositifolia (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Priva Cordifolia (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Rabia Cordifolia (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Rubia Akane (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Rubia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
32. Outgoing r'ship FOUND_IN to/from Rubia Manjith (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Rubia Oncotricha (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Rubia Schumanniana (Plant) Rel Props:Reference:
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36. Outgoing r'ship FOUND_IN to/from Rubia Sikkimensis (Plant) Rel Props:Reference:
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40. Outgoing r'ship FOUND_IN to/from Rubia Wallichiana (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Rubia Yunnanensis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Saussurea Cordifolia (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Sida Cordifolia (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Thladiantha Cordifolia (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Tinospora Cordifolia (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Triumfetta Cordifolia (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Viguiera Cordifolia (Plant) Rel Props:Reference:

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Macaflavone II

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Phytochemical Properties

Associated Connections 47

Plant Connections 47