Glabrocoumarin

PubChem CID: 11427657

Connections displayed (default: 10).

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Compound Synonyms	Glabrocoumarin, UNII-L6LXX42W4C, L6LXX42W4C, 866021-47-8, (3,8'-Bi-2H-1-benzopyran)-2-one, 5',7-dihydroxy-2',2'-dimethyl-, DTXSID901184484, Q27282778, 5a(2),7-Dihydroxy-2a(2),2a(2)-dimethyl[3,8a(2)-bi-2H-1-benzopyran]-2-one
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	76.0
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC2CCCCC2CC1C1CCCC2CCCCC21
Np Classifier Class	Simple coumarins
Deep Smiles	Occcccc6)oc=O)cc6)cccccc6OCC)C)C=C6))))))O
Heavy Atom Count	25.0
Classyfire Class	Isoflavonoids
Scaffold Graph Node Level	OC1OC2CCCCC2CC1C1CCCC2CCCOC21
Classyfire Subclass	Pyranoisoflavonoids
Isotope Atom Count	0.0
Molecular Complexity	607.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)chromen-2-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	3.8
Gsk 4 400 Rule	False
Molecular Formula	C20H16O5
Scaffold Graph Node Bond Level	O=c1oc2ccccc2cc1-c1cccc2c1OCC=C2
Prediction Swissadme	0.0
Inchi Key	QOWFWSZIEKUOSQ-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.15
Logs	-3.593
Rotatable Bond Count	1.0
Logd	3.847
Synonyms	glabrocoumarin
Esol Class	Moderately soluble
Functional Groups	c=O, cC=CC, cO, cOC, coc
Compound Name	Glabrocoumarin
Prediction Hob Swissadme	0.0
Exact Mass	336.1
Formal Charge	0.0
Monoisotopic Mass	336.1
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	336.3
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	-3.970926600000001
Inchi	InChI=1S/C20H16O5/c1-20(2)8-7-14-16(22)6-5-13(18(14)25-20)15-9-11-3-4-12(21)10-17(11)24-19(15)23/h3-10,21-22H,1-2H3
Smiles	CC1(C=CC2=C(C=CC(=C2O1)C3=CC4=C(C=C(C=C4)O)OC3=O)O)C
Nring	4.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Coumarins

1. Outgoing r'ship FOUND_IN to/from Aesculus Glabra (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Angelica Glabra (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Annona Glabra (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Begonia Glabra (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Begonia Inflata (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Boswellia Glabra (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Bougainvillea Glabra (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Cephalaria Uralensis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Dioscorea Glabra (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Glycyrrhiza (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Aspera (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Echinata (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
14. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
15. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Kansuensis (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Lepidota (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Pallidiflora (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Sp (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Squamulosa (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Triphylla (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
22. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Yunnanensis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Goupia Glabra (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Herniaria Glabra (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Hopea Glabra (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Horsfieldia Glabra (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Hypochoeris Glabra (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Indigofera Glabra (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Lobelia Inflata (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Malpighia Glabra (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Mussaenda Glabra (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Persicaria Glabra (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Petunia Integrifolia (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Polypodium Glycyrrhiza (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Pongamia Glabra (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Sarcandra Glabra (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Scutellaria Glabra (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Silene Inflata (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Smilax Glabra (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Stephania Glabra (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Thermopsis Inflata (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Ulmus Glabra (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Waldheimia Glabra (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 43

Plant Connections 43