Trachyloban-19-oicacid

PubChem CID: 44560009

Connections displayed (default: 10).

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Compound Synonyms	trachyloban-19-oicacid, CHEMBL511801
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2C(C1)CCC13CC4C(CC21)C4C3
Np Classifier Class	Trachylobane diterpenoids
Deep Smiles	OC=O)[C@@]C)CCC[C@@][C@@H]6CC[C@][C@H]6C[C@H][C@@H]C6)[C@@]3C7)C))))))))))C
Heavy Atom Count	22.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	C1CCC2C(C1)CCC13CC4C(CC21)C4C3
Classyfire Subclass	Diterpenoids
Isotope Atom Count	0.0
Molecular Complexity	570.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Iupac Name	(1S,4S,5S,9S,10R,12S,13R,14R)-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	5.6
Gsk 4 400 Rule	False
Molecular Formula	C20H30O2
Scaffold Graph Node Bond Level	C1CCC2C(C1)CCC13CC4C(CC21)C4C3
Prediction Swissadme	0.0
Inchi Key	FLGAFUAMEXILLB-KDGRZGFDSA-N
Silicos It Class	Soluble
Fcsp3	0.95
Logs	-3.991
Rotatable Bond Count	1.0
Logd	4.049
Synonyms	trachyloban-19-oic acid
Esol Class	Moderately soluble
Functional Groups	CC(=O)O
Compound Name	Trachyloban-19-oicacid
Prediction Hob Swissadme	0.0
Exact Mass	302.225
Formal Charge	0.0
Monoisotopic Mass	302.225
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	302.5
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	-5.1646396
Inchi	InChI=1S/C20H30O2/c1-17-6-4-7-18(2,16(21)22)14(17)5-8-20-10-13-12(9-15(17)20)19(13,3)11-20/h12-15H,4-11H2,1-3H3,(H,21,22)/t12-,13+,14-,15-,17+,18-,19+,20-/m0/s1
Smiles	C[C@@]12CCC[C@]([C@H]1CC[C@]34[C@H]2C[C@H]5[C@@H](C3)[C@@]5(C4)C)(C)C(=O)O
Nring	6.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Diterpenoids

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2. Outgoing r'ship FOUND_IN to/from Croton Balsamifer (Plant) Rel Props:Reference:
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5. Outgoing r'ship FOUND_IN to/from Croton Cajucara (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Croton Californicus (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Croton Campestris (Plant) Rel Props:Reference:
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10. Outgoing r'ship FOUND_IN to/from Croton Celtidifolius (Plant) Rel Props:Reference:
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20. Outgoing r'ship FOUND_IN to/from Croton Lechleri (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Croton Macrostachys (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
22. Outgoing r'ship FOUND_IN to/from Croton Malabaricus (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Croton Megistocarpus (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Croton Montevidensis (Plant) Rel Props:Reference:
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27. Outgoing r'ship FOUND_IN to/from Croton Oblongifolius (Plant) Rel Props:Reference:
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29. Outgoing r'ship FOUND_IN to/from Croton Persimilis (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Croton Poilanei (Plant) Rel Props:Reference:
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32. Outgoing r'ship FOUND_IN to/from Croton Regelianus (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Croton Rhamnifolius (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Croton Roxburghii (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Croton Ruizianus (Plant) Rel Props:Reference:
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37. Outgoing r'ship FOUND_IN to/from Croton Steenkampianus (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Croton Sublyratus (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Croton Tiglium (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Croton Tonkinensis (Plant) Rel Props:Reference:
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42. Outgoing r'ship FOUND_IN to/from Croton Urucurana (Plant) Rel Props:Reference:
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45. Outgoing r'ship FOUND_IN to/from Croton Zeylanicum (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Erigeron Annuus (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Helianthus Annuus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
48. Outgoing r'ship FOUND_IN to/from Helianthus Californicus (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Helianthus Canescens (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Helianthus Ciliaris (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Helianthus Divaricatus (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Helianthus Maximiliani (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Helianthus Mollis (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Helianthus Niveus (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Helianthus Pumilus (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Helianthus Strumosus (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Helianthus Tuberosus (Plant) Rel Props:Reference:

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Trachyloban-19-oicacid

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Phytochemical Properties

Associated Connections 57

Plant Connections 57