Mahanimbidine

PubChem CID: 21770913

Connections displayed (default: 10).

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Compound Synonyms	Mahanimbidine, Murrayazoline, (+)-Murrayazoline, 25488-37-3, 1,12-Epoxy-9H-indolo[3,2,1-de]phenanthridine, 9a,10,11,12,13,13a-hexahydro-2,9,9,12-tetramethyl-, (9aR,12S,13aS)-, CHEMBL524719, DTXSID401316331, HY-N11023, AKOS040735198, (14R,17S,19S)-3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6,8,10-hexaene
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	14.2
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2C(C1)C1CCC3CC4CCC5CC2C1C3C5C4
Np Classifier Class	Carbazole alkaloids
Deep Smiles	Cccccccccc6nc9cc%13O[C@@]C)CC[C@H][C@@H]8C6))C%10C)C
Heavy Atom Count	25.0
Classyfire Class	Quinolines and derivatives
Scaffold Graph Node Level	C1CCC2C(C1)C1CCC3OC4CCC5CN2C1C3C5C4
Classyfire Subclass	Benzoquinolines
Isotope Atom Count	0.0
Molecular Complexity	587.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	3.0
Uniprot Id	n.a.
Iupac Name	(14R,17S,19S)-3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6,8,10-hexaene
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	5.2
Gsk 4 400 Rule	False
Molecular Formula	C23H25NO
Scaffold Graph Node Bond Level	c1ccc2c(c1)c1ccc3c4c1n2CC1CCC(CC41)O3
Prediction Swissadme	0.0
Inchi Key	YPSWCORASQDCJM-MFEFFIJZSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.4782608695652174
Logs	-7.179
Rotatable Bond Count	0.0
Logd	4.865
Synonyms	curryangine, mahanimbidine, murrayazoline
Esol Class	Moderately soluble
Functional Groups	cOC, cn(c)C
Compound Name	Mahanimbidine
Prediction Hob Swissadme	0.0
Exact Mass	331.194
Formal Charge	0.0
Monoisotopic Mass	331.194
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	331.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	3.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-5.524345800000001
Inchi	InChI=1S/C23H25NO/c1-13-11-15-14-7-5-6-8-18(14)24-20(15)19-16-12-23(4,25-21(13)19)10-9-17(16)22(24,2)3/h5-8,11,16-17H,9-10,12H2,1-4H3/t16-,17+,23-/m0/s1
Smiles	CC1=CC2=C3C4=C1O[C@]5(CC[C@H]([C@@H]4C5)C(N3C6=CC=CC=C62)(C)C)C
Nring	6.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Tryptophan alkaloids

1. Outgoing r'ship FOUND_IN to/from Acalypha Paniculata (Plant) Rel Props:Reference:
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24. Outgoing r'ship FOUND_IN to/from Murraya Alata (Plant) Rel Props:Reference:
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26. Outgoing r'ship FOUND_IN to/from Murraya Elongata (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Murraya Euchrestifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
28. Outgoing r'ship FOUND_IN to/from Murraya Exotica (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9788172360818; ISBN:9788185042053; ISBN:9788185042084
30. Outgoing r'ship FOUND_IN to/from Murraya Kwangsiensis (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Murraya Microphylla (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
33. Outgoing r'ship FOUND_IN to/from Murraya Siamensis (Plant) Rel Props:Reference:
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44. Outgoing r'ship FOUND_IN to/from Vitex Paniculata (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Wendlandia Paniculata (Plant) Rel Props:Reference:

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Mahanimbidine

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Phytochemical Properties

Associated Connections 45

Plant Connections 45