Pseudotaraxasterol

PubChem CID: 604983

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Compound Synonyms	Pseudotaraxasterol, gamma-Taraxasterol, 18.alpha.,19.beta.H-Urs-20-en-3.beta.-ol, 4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol, psi-Taroxosterol, 464-98-2, Heterolupeol, Calendol, y-Taraxasterol, .psi.-Taraxasterol, Urs-20-en-3-ol #, CHEBI:175454, AAA46498, 18alpha,19betaH-Urs-20-en-3beta-ol, (3beta,18alpha,19alpha)-Urs-20-en-3-ol, Urs-20-en-3-ol, (3.beta.,18.alpha.,19.alpha.)-
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1.0
Heavy Atom Count	31.0
Description	Constituent of dandelion root (Taraxacum officinale) and germinating seeds of pot marigold (Calendula officinalis). Flavour component. gamma-Taraxasterol is found in many foods, some of which are shea tree, coffee and coffee products, tea, and soy bean.
Isotope Atom Count	0.0
Molecular Complexity	779.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol
Prediction Hob	1.0
Class	Prenol lipids
Xlogp	8.9
Superclass	Lipids and lipid-like molecules
Subclass	Triterpenoids
Molecular Formula	C30H50O
Prediction Swissadme	0.0
Inchi Key	NGFFRJBGMSPDMS-UHFFFAOYSA-N
Fcsp3	0.9333333333333332
Logs	-6.106
Rotatable Bond Count	0.0
State	Solid
Logd	5.545
Synonyms	(3beta,18alpha,19alpha)-Urs-20-en-3-ol, Calendol, Heterolupeol, Lupane, Pseudotaraxasterol, Psi-taroxosterol, Urs-20-en-3-ol, (3beta,18alpha,19alpha)-, y-Taraxasterol, g-Taraxasterol, Γ-taraxasterol, Y-taraxasterol
Compound Name	Pseudotaraxasterol
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	426.386
Formal Charge	0.0
Monoisotopic Mass	426.386
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	426.7
Covalent Unit Count	1.0
Total Atom Stereocenter Count	10.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic homopolycyclic compounds
Esol	-8.086419800000002
Inchi	InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h11,20-25,31H,9-10,12-18H2,1-8H3
Smiles	CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC=C1C)C)C)C)(C)C)O)C
Nring	5.0
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Triterpenoids

1. Outgoing r'ship FOUND_IN to/from Arctium Lappa (Plant) Rel Props:Source_db:fooddb_chem_all
2. Outgoing r'ship FOUND_IN to/from Breea Segeta (Plant) Rel Props:Source_db:npass_chem_all
3. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all
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93. Outgoing r'ship FOUND_IN to/from Ficus Nervosa (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Ficus Oppositifolia (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Ficus Palmata (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Ficus Pumila (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Ficus Racemosa (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Ficus Religiosa (Plant) Rel Props:Reference:
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100. Outgoing r'ship FOUND_IN to/from Ficus Roxburghii (Plant) Rel Props:Reference:
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114. Outgoing r'ship FOUND_IN to/from Glycine Max (Plant) Rel Props:Source_db:fooddb_chem_all
115. Outgoing r'ship FOUND_IN to/from Hymenidium Lindleyanum (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Roemeria Carica (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Taraxacum Officinale (Plant) Rel Props:Source_db:fooddb_chem_all
118. Outgoing r'ship FOUND_IN to/from Vitellaria Paradoxa (Plant) Rel Props:Source_db:fooddb_chem_all

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Phytochemical Properties

Associated Connections 118

Plant Connections 118