Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21334
- Core Entity Id
- 26901
- Source Entity Count
- 1
- Preferred Name
- Hernangerine
- Name En
- Pubchem Id
- 497804
- Smiles Canonical
- COC1=C(C=CC2=C1C3=C4C(C2)NCCC4=CC5=C3OCO5)O
- Molecular Formula
- C18H17NO4
- Molecular Weight
- 311.3370
- Inchikey
- CFUKKPQRQGCLAT-NSHDSACASA-N
- Inchi
- InChI=1S/C18H17NO4/c1-21-17-12(20)3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17/h2-3,7,11,19-20H,4-6,8H2,1H3/t11-/m0/s1
- Isomeric Smiles
- COC1=C(C=CC2=C1C3=C4[C@H](C2)NCCC4=CC5=C3OCO5)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5394
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hernangerine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hernangerine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hernangerine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Hernangerine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
鼎湖钓樟
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DING HU DIAO ZHANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chun’s Spicebush
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
31520-97-5
Role
alias
Source
HERB_v2
Preferred
No
Name
31520-97-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
A8TEX5Y4UN
Role
alias
Source
itcmdb_public
Preferred
No
Name
A8TEX5Y4UN
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1190170
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1190170
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90185416
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90185416
Role
alias
Source
HERB_v2
Preferred
No
Name
Hernangerine, (+)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hernangerine, (+)-
Role
alias
Source
HERB_v2
Preferred
No
Name
L-NANDIGERINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-NANDIGERINE
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC785148
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC785148
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC785160
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC785160
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nandigerine, (+)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Nandigerine, (+)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
hernangerine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
鼎湖钓樟DING HU DIAO ZHANGChun’s Spicebush31520-97-5A8TEX5Y4UNCHEMBL1190170DTXSID90185416Hernangerine, (+)-L-NANDIGERINENSC785148NSC785160Nandigerine, (+)-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029181
Npass
NPC24957
Tcmid
9450
Tcm Id
19664
Pub Chem
497804
Tcmbank
TCMBANKIN046888
Etcm Ingredient
Hernangerine
Itcmdb Generated
ITX-INGREDIENT-C5034CAF2C6D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H17NO4/c1-21-17-12(20)3-2-9-6-11-14-10(4-5-19-11)7-13-18(23-8-22-13)16(14)15(9)17/h2-3,7,11,19-20H,4-6,8H2,1H3/t11-/m0/s1
Mol Wt
311.337
Mol Log P
2.539400000000001
In Ch Ikey
CFUKKPQRQGCLAT-NSHDSACASA-N
Tcm Name
鼎湖钓樟
Tcm Name2
DING HU DIAO ZHANG
Mol2 Path
/TCM_database/2007_3d_all/09451.mol2
Reference
660, 2601, 4224
Num Hdonors
2
Tcm Name En
Chun’s Spicebush
Drug Likeness
0.847
Num Hacceptors
5
Isomeric Smiles
COC1=C(C=CC2=C1C3=C4[C@H](C2)NCCC4=CC5=C3OCO5)O
Canonical Smiles
COC1=C(C=CC2=C1C3=C4C(C2)NCCC4=CC5=C3OCO5)O
Herb Alias Names
31520-97-5L-NANDIGERINENandigerine, (+)-Hernangerine, (+)-A8TEX5Y4UNCHEMBL1190170DTXSID90185416NSC785148NSC785160
Molecular Weight
311.120
Molecular Weight
311.3 g/mol
Molecular Formula
C18H17NO4
Molecular Formula
C18H17NO4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.975
Quantitative Estimate Of Drug Likeness（Qed）
0.847