Protosappanin A

PubChem CID: 128001

Connections displayed (default: 10).

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Compound Synonyms	Protosappanin A, 102036-28-2, Sappanol B, 3,10,11-trihydroxy-6H-dibenzo[b,d]oxocin-7(8H)-one, CHEBI:69202, DTXSID10144540, 5,14,15-trihydroxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-10-one, PTA, 6H-Dibenz(b,d)oxocin-7(8H)-one, 3,10,11-trihydroxy-, 5,14,15-trihydroxy-8-oxatricyclo(10.4.0.02,7)hexadeca-1(16),2(7),3,5,12,14-hexaen-10-one, SCHEMBL168054, CHEMBL447427, DTXCID7067031, BCP29498, AKOS040760044, DA-57166, MS-23852, HY-113573, CS-0062799, F82246, Q27137541, 3,10,11-trihydroxy-7,8-dihydro-6h-dibenz[b,d]oxocin-7-one
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	87.0
Hydrogen Bond Donor Count	3.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	CC1CCC2CCCCC2C2CCCCC2C1
Deep Smiles	O=CCOcccO)ccc6-ccC%12)ccO)cc6)O
Heavy Atom Count	20.0
Classyfire Class	Organooxygen compounds
Scaffold Graph Node Level	OC1COC2CCCCC2C2CCCCC2C1
Classyfire Subclass	Ethers
Isotope Atom Count	0.0
Molecular Complexity	371.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P12931, P35968, P10721, P00533, P11362, P21802
Iupac Name	5,14,15-trihydroxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-10-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organic oxygen compounds
Xlogp	2.0
Gsk 4 400 Rule	True
Molecular Formula	C15H12O5
Scaffold Graph Node Bond Level	O=C1COc2ccccc2-c2ccccc2C1
Prediction Swissadme	0.0
Inchi Key	MUKYVRVYBBYJSI-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.1333333333333333
Logs	-6.241
Rotatable Bond Count	0.0
Logd	4.742
Synonyms	protosappanin a
Esol Class	Soluble
Functional Groups	CC(C)=O, cO, cOC
Compound Name	Protosappanin A
Prediction Hob Swissadme	0.0
Exact Mass	272.068
Formal Charge	0.0
Monoisotopic Mass	272.068
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	272.25
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	-3.2130872
Inchi	InChI=1S/C15H12O5/c16-9-1-2-11-12-6-14(19)13(18)4-8(12)3-10(17)7-20-15(11)5-9/h1-2,4-6,16,18-19H,3,7H2
Smiles	C1C(=O)COC2=C(C=CC(=C2)O)C3=CC(=C(C=C31)O)O
Nring	2.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True

1. Outgoing r'ship FOUND_IN to/from Achyranthes Japonica (Plant) Rel Props:Reference:
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16. Outgoing r'ship FOUND_IN to/from Biancaea Sappan (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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26. Outgoing r'ship FOUND_IN to/from Caesalpinia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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31. Outgoing r'ship FOUND_IN to/from Caesalpinia Sappan (Plant) Rel Props:Source_db:npass_chem_all
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77. Outgoing r'ship FOUND_IN to/from Murdannia Japonica (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Ocimum Campechianum (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Ophiorrhiza Japonica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Orixa Japonica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Osmunda Japonica (Plant) Rel Props:Reference:
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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88. Outgoing r'ship FOUND_IN to/from Ranzania Japonica (Plant) Rel Props:Reference:
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92. Outgoing r'ship FOUND_IN to/from Sagina Japonica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Salix Japonica (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Saussurea Japonica (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Skimmia Japonica (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Spergula Japonica (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Spiraea Japonica (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Reference:
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103. Outgoing r'ship FOUND_IN to/from Ternstroemia 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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Protosappanin A

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Phytochemical Properties

Associated Connections 107

Plant Connections 107