Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Reference: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7536
- Core Entity Id
- 11558
- Source Entity Count
- 1
- Preferred Name
- 6β-hydroxyhuperzine a
- Name En
- Pubchem Id
- 54608822
- Smiles Canonical
- CC=C1C2C=C(CC1(C3=C(C2O)NC(=O)C=C3)N)C
- Molecular Formula
- C15H18N2O2
- Molecular Weight
- 258.3210
- Inchikey
- WFICABZBCMBKJQ-BZHTVMEOSA-N
- Inchi
- InChI=1S/C15H18N2O2/c1-3-10-9-6-8(2)7-15(10,16)11-4-5-12(18)17-13(11)14(9)19/h3-6,9,14,19H,7,16H2,1-2H3,(H,17,18)/b10-3+/t9-,14-,15+/m1/s1
- Isomeric Smiles
- C/C=C/1\[C@H]2C=C(C[C@]1(C3=C([C@@H]2O)NC(=O)C=C3)N)C
- Cas Id
- Ob Score
- Mol Logp
- 1.4884
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6β-hydroxyhuperzine a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6β-hydroxyhuperzine a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6β-hydroxyhuperzine a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Huperzine A, 6-.beta.-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Huperzine A, 6-.beta.-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-634577
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC634577
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Huperzine A, 6-.beta.-hydroxy-NSC-634577NSC634577
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012276
Tcmid
10169
Pub Chem
54608822
Tcmbank
TCMBANKIN043047
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H18N2O2/c1-3-10-9-6-8(2)7-15(10,16)11-4-5-12(18)17-13(11)14(9)19/h3-6,9,14,19H,7,16H2,1-2H3,(H,17,18)/b10-3+/t9-,14-,15+/m1/s1
Mol Wt
258.321
Smiles
CC=C1C2C=C(CC1(C3=C(C2O)NC(=O)C=C3)N)C
Mol Log P
1.4884
In Ch Ikey
WFICABZBCMBKJQ-BZHTVMEOSA-N
Mol2 Path
/TCM_database/2007_3d_all/10170.mol2
Reference
660
Num Hdonors
3
Drug Likeness
0.617
Num Hacceptors
3
Isomeric Smiles
C/C=C/1\[C@H]2C=C(C[C@]1(C3=C([C@@H]2O)NC(=O)C=C3)N)C
Canonical Smiles
CC=C1C2C=C(CC1(C3=C(C2O)NC(=O)C=C3)N)C
Herb Alias Names
Huperzine A, 6-.beta.-hydroxy-NSC634577NSC-634577
Molecular Formula
C15H18N2O2
Molecular Formula
C15H18N2O2
Num Rotatable Bonds
0