16-Oxolycoclavanol

PubChem CID: 42608307

Connections displayed (default: 10).

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Compound Synonyms	16-Oxolycoclavanol, 3alpha,21beta,24-trihydroxy-14-serraten-16-one, CHEBI:173127, LMPR0106230003, (1S,6R,8R,11R,12S,16R,19R,20S)-8,19-dihydroxy-20-(hydroxymethyl)-1,7,7,11,16,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-5-one
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC2CC3CCC4CCCCC4C3CCC2C2CCCCC12
Np Classifier Class	Serratane triterpenoids
Deep Smiles	OC[C@@]C)[C@H]O)CC[C@]C6CC[C@@]C6CC[C@H]C=CC=O)[C@@H][C@]6C)CC[C@H]C6C)C))O))))))))C7))))))C)))))C
Heavy Atom Count	34.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	OC1CC2CC3CCC4CCCCC4C3CCC2C2CCCCC12
Classyfire Subclass	Triterpenoids
Isotope Atom Count	0.0
Molecular Complexity	892.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Iupac Name	(1S,6R,8R,11R,12S,16R,19R,20S)-8,19-dihydroxy-20-(hydroxymethyl)-1,7,7,11,16,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-en-5-one
Prediction Hob	0.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	5.8
Gsk 4 400 Rule	False
Molecular Formula	C30H48O4
Scaffold Graph Node Bond Level	O=C1C=C2CC3CCC4CCCCC4C3CCC2C2CCCCC12
Prediction Swissadme	0.0
Inchi Key	QLFHDTVFRVKLCZ-HXYVPTRYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.9
Logs	-5.079
Rotatable Bond Count	1.0
Logd	3.253
Synonyms	16-oxolycoclavanol
Esol Class	Poorly soluble
Functional Groups	CC(C)=CC(C)=O, CO
Compound Name	16-Oxolycoclavanol
Prediction Hob Swissadme	0.0
Exact Mass	472.355
Formal Charge	0.0
Monoisotopic Mass	472.355
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	472.7
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	10.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-6.365102000000001
Inchi	InChI=1S/C30H48O4/c1-26(2)23(33)10-13-28(4)19-7-8-21-27(3,16-18(19)15-20(32)25(26)28)12-9-22-29(21,5)14-11-24(34)30(22,6)17-31/h15,19,21-25,31,33-34H,7-14,16-17H2,1-6H3/t19-,21?,22?,23+,24+,25-,27-,28+,29+,30+/m0/s1
Smiles	C[C@@]12CCC3[C@@](C1CC[C@H]4C(=CC(=O)[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C2)(CC[C@H]([C@]3(C)CO)O)C
Nring	5.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Triterpenoids

1. Outgoing r'ship FOUND_IN to/from Aconitum Japonicum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Bidens Cernua (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Breynia Cernua (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Cercidiphyllum Japonicum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Chrysosplenium Japonicum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Cinnamomum Japonicum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Cirsium Japonicum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Clerodendrum Japonicum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Conocephalum Japonicum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Crinum Asiaticum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Eupatorium Japonicum (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Farfugium Japonicum (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Flourensia Cernua (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Geum Japonicum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Hypecoum Japonicum (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Hypericum Japonicum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Ligustrum Japonicum (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Lycopodiella Cernua (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Lycopodium Casuarinoides (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Lycopodium Cernuum (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Lycopodium Chinense (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Lycopodium Clavatum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
23. Outgoing r'ship FOUND_IN to/from Lycopodium Contiguum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Lycopodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
25. Outgoing r'ship FOUND_IN to/from Lycopodium Obscurum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Lycopodium Paniculatum (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Lycopodium Phlegmaria (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Lycopodium Selago (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Lygodium Japonicum (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Nuphar Japonicum (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Onychium Japonicum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Palhinhaea Cernua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
33. Outgoing r'ship FOUND_IN to/from Peucedanum Japonicum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Phellodendron Japonicum (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Phtheirospermum Japonicum (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Pulsatilla Cernua (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Rhododendron Japonicum (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Saxifraga Cernua (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Styphnolobium Japonicum (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Tripterospermum Japonicum (Plant) Rel Props:Reference:

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16-Oxolycoclavanol

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Phytochemical Properties

Associated Connections 40

Plant Connections 40