1,3-Benzenediol, 2-((2E)-3,7-dimethyl-2,6-octadienyl)-5-((1E)-2-phenylethenyl)-

PubChem CID: 6440462

Connections displayed (default: 10).

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Compound Synonyms	Amorphastilbol, 72165-33-4, 1,3-Benzenediol, 2-((2E)-3,7-dimethyl-2,6-octadienyl)-5-((1E)-2-phenylethenyl)-, 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-phenylethenyl]benzene-1,3-diol, CHEMBL500257, SCHEMBL22607926, DTXSID101019277, BDBM50383922, 2-[(2E)-3,7-Dimethyl-2,6-octadienyl]-5-[(1E)-2-phenylethenyl]-1,3-benzenediol
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC(CCC2CCCCC2)CC1
Np Classifier Class	Monomeric stilbenes
Deep Smiles	C/C=CCccO)cccc6O)))/C=C/cccccc6))))))))))))))/CCC=CC)C
Heavy Atom Count	26.0
Classyfire Class	Stilbenes
Scaffold Graph Node Level	C1CCC(CCC2CCCCC2)CC1
Isotope Atom Count	0.0
Molecular Complexity	480.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	Q07869, P37231, Q03181
Iupac Name	2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-phenylethenyl]benzene-1,3-diol
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Phenylpropanoids and polyketides
Target Id	NPT866, NPT99
Xlogp	7.3
Gsk 4 400 Rule	False
Molecular Formula	C24H28O2
Scaffold Graph Node Bond Level	C(=Cc1ccccc1)c1ccccc1
Prediction Swissadme	0.0
Inchi Key	YPGQBVBJFQCVKA-ORSZPIRQSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.25
Logs	-3.917
Rotatable Bond Count	7.0
Logd	4.738
Synonyms	amorphastilbol
Esol Class	Poorly soluble
Functional Groups	C/C=C(/C)C, CC=C(C)C, c/C=C/c, cO
Compound Name	1,3-Benzenediol, 2-((2E)-3,7-dimethyl-2,6-octadienyl)-5-((1E)-2-phenylethenyl)-
Prediction Hob Swissadme	0.0
Exact Mass	348.209
Formal Charge	0.0
Monoisotopic Mass	348.209
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	348.5
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	2.0
Lipinski Rule Of 5	True
Esol	-6.453951661538462
Inchi	InChI=1S/C24H28O2/c1-18(2)8-7-9-19(3)12-15-22-23(25)16-21(17-24(22)26)14-13-20-10-5-4-6-11-20/h4-6,8,10-14,16-17,25-26H,7,9,15H2,1-3H3/b14-13+,19-12+
Smiles	CC(=CCC/C(=C/CC1=C(C=C(C=C1O)/C=C/C2=CC=CC=C2)O)/C)C
Nring	2.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	2.0
Egan Rule	False
Np Classifier Superclass	Stilbenoids

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2. Outgoing r'ship FOUND_IN to/from Adenia Fruticosa (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Amorpha Fruticosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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33. Outgoing r'ship FOUND_IN to/from Helichrysum Odoratissimum (Plant) Rel Props:Reference:
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46. Outgoing r'ship FOUND_IN to/from Trifolium Fruticosa (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Woodfordia Fruticosa (Plant) Rel Props:Reference:

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1,3-Benzenediol, 2-((2E)-3,7-dimethyl-2,6-octadienyl)-5-((1E)-2-phenylethenyl)-

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Phytochemical Properties

Associated Connections 47

Plant Connections 47