Coroglaucigenin

PubChem CID: 12302399

Connections displayed (default: 10).

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Compound Synonyms	Coroglaucigenin, VN7G3DMZ7D, 468-19-9, NSC 144150, NSC-144150, 3-beta,14,19-Trihydroxy-5-alpha-card-20(22)-enolide, 5alpha-Card-20(22)-enolide, 3beta,14,19-trihydroxy-, 5-alpha-CARD-20(22)-ENOLIDE, 3-beta,14,19-TRIHYDROXY-, (3.BETA.,5.ALPHA.)-3,14,19-TRIHYDROXYCARD-20(22)-ENOLIDE, Card-20(22)-enolide, 3,14,19-trihydroxy-, (3-beta,5-alpha)-, Card-20(22)-enolide, 3,14,19-trihydroxy-, (3.beta.,5.alpha.)-, 3-((3S,5S,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl)-2H-furan-5-one, 3-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, UNII-VN7G3DMZ7D, CHEMBL495179, SCHEMBL21578189, CHEBI:229087, NS00093757, 5alpha-Card-20(22)-enolide, 3beta,14,19-trihydroxy-(8CI), (3BETA,5ALPHA)-3,14,19-TRIHYDROXYCARD-20(22)-ENOLIDE, Card-20(22)-enolide, 3,14,19-trihydroxy-, (3-beta,5-alpha)-(9CI), CARD-20(22)-ENOLIDE, 3,14,19-TRIHYDROXY-, (3BETA,5ALPHA)-, 3-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-uran-5-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	CC1CCC(C2CCC3C2CCC2C4CCCCC4CCC23)C1
Np Classifier Class	Cardenolides
Deep Smiles	OC[C@]CC[C@@H]C[C@@H]6CC[C@@H][C@@H]%10CC[C@][C@]6O)CC[C@@H]5C=CC=O)OC5)))))))))C))))))))))O
Heavy Atom Count	28.0
Classyfire Class	Steroids and steroid derivatives
Scaffold Graph Node Level	OC1CC(C2CCC3C2CCC2C4CCCCC4CCC23)CO1
Classyfire Subclass	Steroid lactones
Isotope Atom Count	0.0
Molecular Complexity	703.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Iupac Name	3-[(3S,5S,8R,9S,10R,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	1.4
Gsk 4 400 Rule	True
Molecular Formula	C23H34O5
Scaffold Graph Node Bond Level	O=C1C=C(C2CCC3C2CCC2C4CCCCC4CCC23)CO1
Prediction Swissadme	1.0
Inchi Key	CDMVQQAHEQVSMF-AULARHRYSA-N
Silicos It Class	Soluble
Fcsp3	0.8695652173913043
Logs	-3.697
Rotatable Bond Count	2.0
Logd	2.653
Synonyms	coroglaucigenin
Esol Class	Soluble
Functional Groups	CC1=CC(=O)OC1, CO
Compound Name	Coroglaucigenin
Prediction Hob Swissadme	0.0
Exact Mass	390.241
Formal Charge	0.0
Monoisotopic Mass	390.241
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	390.5
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	8.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.0238240000000007
Inchi	InChI=1S/C23H34O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h10,15-19,24-25,27H,2-9,11-13H2,1H3/t15-,16-,17+,18-,19+,21+,22+,23-/m0/s1
Smiles	C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@@H]5[C@@]3(CC[C@@H](C5)O)CO
Nring	5.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Steroids

1. Outgoing r'ship FOUND_IN to/from Abutilon Grandifolium (Plant) Rel Props:Reference:
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76. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Mallotus Philippensis (Plant) Rel Props:Reference:ISBN:9788171360536
78. Outgoing r'ship FOUND_IN to/from Melochia Tomentosa (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Miliusa Sinensis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Morinda Tomentosa (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Mucuna Gigantea (Plant) Rel Props:Reference:
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85. Outgoing r'ship FOUND_IN to/from Neottia Sinensis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Nyssa Sinensis (Plant) Rel Props:Reference:
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88. Outgoing r'ship FOUND_IN to/from Pergularia Aktensa (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Pergularia Daemia (Plant) Rel Props:Reference:ISBN:9788172361150
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98. Outgoing r'ship FOUND_IN to/from Ribes Alpinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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160. Outgoing r'ship FOUND_IN to/from Xantolis Tomentosa (Plant) Rel Props:Reference:

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Coroglaucigenin

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Phytochemical Properties

Associated Connections 160

Plant Connections 160