5-[2-[4-Hydroxy-3-(3-methylbut-2-enyl)phenyl]ethyl]benzene-1,3-diol

PubChem CID: 10990178

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Compound Synonyms	CHEMBL465165
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC(CCC2CCCCC2)CC1
Np Classifier Class	Monomeric stilbenes
Deep Smiles	CC=CCcccCCcccO)ccc6)O))))))))ccc6O)))))))))C
Heavy Atom Count	22.0
Classyfire Class	Stilbenes
Scaffold Graph Node Level	C1CCC(CCC2CCCCC2)CC1
Isotope Atom Count	0.0
Molecular Complexity	352.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	n.a.
Iupac Name	5-[2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethyl]benzene-1,3-diol
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Xlogp	5.0
Gsk 4 400 Rule	False
Molecular Formula	C19H22O3
Scaffold Graph Node Bond Level	c1ccc(CCc2ccccc2)cc1
Prediction Swissadme	0.0
Inchi Key	MOQQOXAPDNATKL-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.2631578947368421
Logs	-3.237
Rotatable Bond Count	5.0
Logd	3.931
Synonyms	alphaalpha-dihydro-354-trihydroxy-5-isopentenylstilbene
Esol Class	Moderately soluble
Functional Groups	CC=C(C)C, cO
Compound Name	5-[2-[4-Hydroxy-3-(3-methylbut-2-enyl)phenyl]ethyl]benzene-1,3-diol
Prediction Hob Swissadme	0.0
Exact Mass	298.157
Formal Charge	0.0
Monoisotopic Mass	298.157
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	298.4
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	-4.913604763636363
Inchi	InChI=1S/C19H22O3/c1-13(2)3-7-16-9-14(6-8-19(16)22)4-5-15-10-17(20)12-18(21)11-15/h3,6,8-12,20-22H,4-5,7H2,1-2H3
Smiles	CC(=CCC1=C(C=CC(=C1)CCC2=CC(=CC(=C2)O)O)O)C
Nring	2.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Stilbenoids

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:
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8. Outgoing r'ship FOUND_IN to/from Glycyrrhiza (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Aspera (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Echinata (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
12. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Inflata (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Kansuensis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Lepidota (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Pallidiflora (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Sp (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Squamulosa (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Triphylla (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Uralensis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Yunnanensis (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Goupia Glabra (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Herniaria Glabra (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Hopea Glabra (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Horsfieldia Glabra (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Hypochoeris Glabra (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Indigofera Glabra (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Malpighia Glabra (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Mussaenda Glabra (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Persicaria Glabra (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Polypodium Glycyrrhiza (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Pongamia Glabra (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Sarcandra Glabra (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Scutellaria Glabra (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Smilax Glabra (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Stephania Glabra (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Ulmus Glabra (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Waldheimia Glabra (Plant) Rel Props:Reference:

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5-[2-[4-Hydroxy-3-(3-methylbut-2-enyl)phenyl]ethyl]benzene-1,3-diol

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Phytochemical Properties

Associated Connections 37

Plant Connections 37