5-((Z)-tridec-8-en-1-yl)resorcinol

PubChem CID: 6454482

Connections displayed (default: 10).

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Compound Synonyms	5-((Z)-tridec-8-en-1-yl)resorcinol, 62897-10-3, (Z)-5-(tridec-8-en-1-yl)benzene-1,3-diol, 1,3-Benzenediol, 5-(8-tridecenyl)-, (Z)-, LMPK15030017
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	C1CCCCC1
Np Classifier Class	Catechols with side chains
Deep Smiles	CCCC/C=CCCCCCCCcccO)ccc6)O
Heavy Atom Count	21.0
Classyfire Class	Phenols
Scaffold Graph Node Level	C1CCCCC1
Classyfire Subclass	Benzenediols
Isotope Atom Count	0.0
Molecular Complexity	252.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	5-[(Z)-tridec-8-enyl]benzene-1,3-diol
Prediction Hob	1.0
Veber Rule	False
Classyfire Superclass	Benzenoids
Xlogp	7.0
Gsk 4 400 Rule	False
Molecular Formula	C19H30O2
Scaffold Graph Node Bond Level	c1ccccc1
Prediction Swissadme	0.0
Inchi Key	ILUMNMFPGSFYMK-WAYWQWQTSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.5789473684210527
Logs	-3.22
Rotatable Bond Count	11.0
Logd	4.512
Synonyms	ardisinol ii
Esol Class	Moderately soluble
Functional Groups	C/C=CC, cO
Compound Name	5-((Z)-tridec-8-en-1-yl)resorcinol
Prediction Hob Swissadme	0.0
Exact Mass	290.225
Formal Charge	0.0
Monoisotopic Mass	290.225
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	290.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	True
Esol	-5.555099971428572
Inchi	InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h5-6,14-16,20-21H,2-4,7-13H2,1H3/b6-5-
Smiles	CCCC/C=C\CCCCCCCC1=CC(=CC(=C1)O)O
Nring	1.0
Np Classifier Biosynthetic Pathway	Polyketides
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Np Classifier Superclass	Aromatic polyketides

1. Outgoing r'ship FOUND_IN to/from Achyranthes Japonica (Plant) Rel Props:Reference:
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15. Outgoing r'ship FOUND_IN to/from Ardisia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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80. Outgoing r'ship FOUND_IN to/from Orixa Japonica (Plant) Rel Props:Reference:
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82. Outgoing r'ship FOUND_IN to/from Pieris Japonica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Plagiochila Acanthophylla (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Pseudotsuga Japonica (Plant) Rel Props:Reference:
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89. Outgoing r'ship FOUND_IN to/from Rhamnus Japonica (Plant) Rel Props:Reference:
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91. Outgoing r'ship FOUND_IN to/from Sabia Japonica (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Sagina Japonica (Plant) Rel Props:Reference:
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95. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Reference:
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103. Outgoing r'ship FOUND_IN to/from Ternstroemia Japonica (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Tilia Japonica (Plant) Rel Props:Reference:
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106. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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5-((Z)-tridec-8-en-1-yl)resorcinol

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Phytochemical Properties

Associated Connections 107

Plant Connections 107