Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9612
- Core Entity Id
- 13852
- Source Entity Count
- 1
- Preferred Name
- N-(p-hydroxyphenethyl) actinidine
- Name En
- Pubchem Id
- 3536737
- Smiles Canonical
- CC1CCC2=C1C=[N+](C=C2C)CCC3=CC=C(C=C3)O
- Molecular Formula
- C18H22NO(+)
- Molecular Weight
- 268.3800
- Inchikey
- CKHCFVWFFIHGMT-UHFFFAOYSA-O
- Inchi
- InChI=1S/C18H21NO/c1-13-3-8-17-14(2)11-19(12-18(13)17)10-9-15-4-6-16(20)7-5-15/h4-7,11-13H,3,8-10H2,1-2H3/p+1
- Isomeric Smiles
- CC1CCC2=C1C=[N+](C=C2C)CCC3=CC=C(C=C3)O
- Cas Id
- 15794-92-0
- Ob Score
- 62.1599
- Mol Logp
- 3.2805
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Actinidine; (s)-form,n-(4-hydroxyphenethyl)
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Actinidine; (s)-form,n-(4-hydroxyphenethyl)
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
N-(P-Hydroxyphenethyl) Actinidine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
N-(p-Hydroxyphenethyl) actinidine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
N-(p-Hydroxyphenethyl)actinidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N-(p-hydroxyphenethyl) actinidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
N-(p-hydroxyphenethyl) actinidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
actinidine; (s)-form,n-(4-hydroxyphenethyl)
Role
preferred
Source
TCMBank
Preferred
Yes
Name
缬草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIE CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Valeriana
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
N-(p-Nydroxyphenethyl)actinidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(p-Nydroxyphenethyl)actinidine
Role
alias
Source
HERB_v2
Preferred
No
Name
Common VaIeriana
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
n-(p-hydroxyphenethyl)actinidine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Actinidine; (s)-form,n-(4-hydroxyphenethyl)N-(p-Hydroxyphenethyl)actinidine缬草XIE CAOCommon ValerianaN-(p-Nydroxyphenethyl)actinidineCommon VaIeriana
Cross References
Trusted external identifiers retained for this final record.
Cas
15794-92-0
Herb
HBIN014638HBIN037498
Npass
NPC313931
Tcmid
10600
Tcmsp
MOL009735
Sym Map
SMIT10822
Tcm Id
7167
Pub Chem
3536737
Tcmbank
TCMBANKIN002372TCMBANKIN006511TCMBANKIN037459
Etcm Ingredient
N-(p-Hydroxyphenethyl) actinidine
Itcmdb Generated
ITX-INGREDIENT-FD3D534EE266ITX-INGREDIENT-FEAD176855FA
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H21NO/c1-13-3-8-17-14(2)11-19(12-18(13)17)10-9-15-4-6-16(20)7-5-15/h4-7,11-13H,3,8-10H2,1-2H3/p+1
Mol Wt
268.3799999999999
Cas Id
15794-92-0
Smiles
C1(C([H])([H])[H])=C([H])N(C([H])([H])C([H])([H])c2c([H])c([H])c(O[H])c([H])c2[H])=C([H])C3=C1C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[H]
Mol Log P
3.280520000000002
Version
v1,v2
In Ch Ikey
CKHCFVWFFIHGMT-UHFFFAOYSA-O
Ob Score
62.1598560462.16
Suppress
0
Tcm Name
缬草
Tcm Name2
XIE CAO
Mol2 Path
/TCM_database/2007_3d_all/10601.mol2
Reference
6, 658, 660
Num Hdonors
1
Tcm Name En
Common Valeriana
Drug Likeness
0.849
Num Hacceptors
1
Isomeric Smiles
CC1CCC2=C1C=[N+](C=C2C)CCC3=CC=C(C=C3)O
Molecule Weight
268.41
Canonical Smiles
CC1CCC2=C1C=[N+](C=C2C)CCC3=CC=C(C=C3)O
Molecular Weight
268.170
Molecular Weight
0
Molecular Formula
C18H22NO+
Molecular Formula
C18H22NO(+)
Molecular Formula
C18H22NO(+)C18H22NO+
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.908
Quantitative Estimate Of Drug Likeness（Qed）
0.849