Huperzine A
PubChem CID: 854026
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| Compound Synonyms | Huperzine A, (-)-huperzine A, 102518-79-6, (-)-huperazine A, Selagine, L-huperzine A, Hup A, Huperzin A, Kimpukan A, (-)-Selagine, Huperzine-A, DTXSID8046038, CHEBI:78330, HUPERZINE A [MI], HUPERZINE A [VANDF], HUPERZINE A [WHO-DD], CHEMBL395280, DTXCID6026038, 0111871I23, (5R,9R,E)-5-Amino-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2(1H)-one, 5,9-Methanocycloocta[b]pyridin-2(1H)-one, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (5R,9R,11E)-, (5R,9R,11E)-5-amino-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2(1H)-one, Huperizine A, (1R,9R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one, (5R,9R,11E)-5-AMINO-11-ETHYLIDENE-5,6,9,10-TETRAHYDRO-7-METHYL-5,9-METHANOCYCLOOCTA(B)PYRIDIN-2(1H)-ONE, 1369-64-8, 5,9-Methanocycloocta(b)pyridin-2(1H)-one, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (5R,9R,11E)-, 5,9-Methanocycloocta(b)pyridin-2(1H)-one, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (5R-(5-alpha,9-beta,11E))-, CAS-102518-79-6, 120786-18-7, Cerebra, Hyperazzine A, hupzine A, 1vot, NCGC00159362-02, (1R,9R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo(7.3.1.02,7)trideca-2(7),3,10-trien-5-one, (5r,9r,11e)-5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-5,9-methanocycloocta[b]pyridin-2(1h)-one, (5R,9R,11E)-5-amino-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta(b)pyridin-2(1H)-one, HUP, HUPERAINE A, SCHEMBL136368, SPECTRUM1505255, CHEBI:94624, Tox21_111603, BDBM50199522, CCG-40292, UNII-0111871I23, AKOS016842839, Tox21_111603_1, (+-)-HA, DB04864, SDCCGMLS-0066755.P001, NCGC00263655-01, AS-15723, H1700, NS00023157, A11941, C90354, EN300-33171546, Q425198, BRD-K62240499-001-02-6, BRD-K97618845-001-03-1, (-)-1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one(Huperzine A), (-)1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one( (-)-Huperzine A), (1R,9R)-1-Amino-13-eth-(E)-ylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one, (1R,9R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0,2,7]trideca-2(7),3,10-trien-5-one, (huperazine A)(-)-1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one, (R)-1-Amino-13-eth-(E)-ylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one, (R)-1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one, 1-Amino-13-eth-(E)-ylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one, 1-Amino-13-eth-(Z)-ylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one, 1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one, 1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one((+/-)-Huperzine A), 1-Amino-13-ethylidene-11-methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7),3,10-trien-5-one((-)-Huperzine A), 1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,10-trien-5-one, 600-320-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 55.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2C(C1)CC1CCCC2C1C |
| Np Classifier Class | Terpenoid alkaloids |
| Deep Smiles | C/C=C[C@H]C=CC[C@]6N)ccC8)[nH]c=O)cc6))))))))C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | CC1C2CCCC1C1CCC(O)NC1C2 |
| Classyfire Subclass | Quinolones and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 551.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,9R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT204 |
| Xlogp | 0.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H18N2O |
| Scaffold Graph Node Bond Level | C=C1C2C=CCC1c1ccc(=O)[nH]c1C2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZRJBHWIHUMBLCN-YQEJDHNASA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4 |
| Logs | -2.328 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.456 |
| Synonyms | huperzine a, selagine |
| Esol Class | Very soluble |
| Functional Groups | C/C=C(/C)C, CC(C)=CC, CN, c=O, c[nH]c |
| Compound Name | Huperzine A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.142 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 242.32 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.2883630666666663 |
| Inchi | InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1 |
| Smiles | C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3 |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids, Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrullus Colocynthis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Huperzia Selago (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lycopodium Selago (Plant) Rel Props:Reference:ISBN:9788172362461