4alpha-Methyl-5alpha-cholesta-7,24-dien-3beta-ol

PubChem CID: 101280252

Connections displayed (default: 10).

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Compound Synonyms	24-dehydrolophenol, 4alpha-methyl-5alpha-cholesta-7,24-dien-3beta-ol, 5alpha-cholesta-7,24-dien-3beta-ol, 4alpha-methyl-, cholesta-7,24-dien-3-ol, 4-methyl-, (3beta,4alpha,5alpha)
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2C(C1)CCC1C3CCCC3CCC21
Np Classifier Class	Cholestane steroids
Deep Smiles	CC=CCC[C@H][C@H]CC[C@@H][C@]5C)CC[C@H]C6=CC[C@@H][C@]6C)CC[C@@H][C@H]6C))O)))))))))))))))))C)))))C
Heavy Atom Count	29.0
Classyfire Class	Steroids and steroid derivatives
Scaffold Graph Node Level	C1CCC2C(C1)CCC1C3CCCC3CCC21
Classyfire Subclass	Cholestane steroids
Isotope Atom Count	0.0
Molecular Complexity	670.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	9.0
Iupac Name	(3S,4S,5S,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	8.3
Gsk 4 400 Rule	False
Molecular Formula	C28H46O
Scaffold Graph Node Bond Level	C1=C2C3CCCC3CCC2C2CCCCC2C1
Prediction Swissadme	0.0
Inchi Key	MUPKQZRBZSOULX-SPONXPENSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.8571428571428571
Logs	-6.888
Rotatable Bond Count	4.0
Logd	6.435
Synonyms	24-dehydrolophenol
Esol Class	Poorly soluble
Functional Groups	CC=C(C)C, CO
Compound Name	4alpha-Methyl-5alpha-cholesta-7,24-dien-3beta-ol
Prediction Hob Swissadme	0.0
Exact Mass	398.355
Formal Charge	0.0
Monoisotopic Mass	398.355
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	398.7
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	9.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-7.257885000000001
Inchi	InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,10,19-20,22-26,29H,7,9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,26+,27-,28+/m1/s1
Smiles	C[C@@H]1[C@H](CC[C@]2([C@H]1CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC=C(C)C)C)C)O
Nring	4.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Np Classifier Superclass	Steroids

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98. Outgoing r'ship FOUND_IN to/from Trigonostemon Howii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
99. Outgoing r'ship FOUND_IN to/from Trigonostemon Lii (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Trigonostemon Reidioides (Plant) Rel Props:Reference:

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4alpha-Methyl-5alpha-cholesta-7,24-dien-3beta-ol

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Phytochemical Properties

Associated Connections 100

Plant Connections 100