Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 10Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25552
- Core Entity Id
- 31597
- Source Entity Count
- 1
- Preferred Name
- Malvic acid
- Name En
- Pubchem Id
- 10416
- Smiles Canonical
- CCCCCCCCC1=C(C1)CCCCCCC(=O)O
- Molecular Formula
- C18H32O2
- Molecular Weight
- 280.4520
- Inchikey
- HPSSZFFAYWBIPY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)
- Isomeric Smiles
- CCCCCCCCC1=C(C1)CCCCCCC(=O)O
- Cas Id
- 503-05-9
- Ob Score
- 30.9880
- Mol Logp
- 5.8625
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.3190
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Malvic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Malvic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Malvic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Malvic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
木槿子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MU JIN ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Shrubalthea Fruit
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
02AJQ7VS2H
Role
alias
Source
HERB_v2
Preferred
No
Name
02AJQ7VS2H
Role
alias
Source
itcmdb_public
Preferred
No
Name
503-05-9
Role
alias
Source
HERB_v2
Preferred
No
Name
503-05-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-(2-octylcyclopropen-1-yl)heptanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-(2-octylcyclopropen-1-yl)heptanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Halphen acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Halphen acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Halphenic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Halphenic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
MALVALIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
MALVALIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
Malvalinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Malvalinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Malvalsaeure
Role
alias
Source
itcmdb_public
Preferred
No
Name
Malvalsaeure
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-02AJQ7VS2H
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-02AJQ7VS2H
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
木槿子MU JIN ZIShrubalthea Fruit02AJQ7VS2H503-05-97-(2-octylcyclopropen-1-yl)heptanoic acidHalphen acidHalphenic acidMALVALIC ACIDMalvalinic acidMalvalsaeureUNII-02AJQ7VS2H
Cross References
Trusted external identifiers retained for this final record.
Cas
503-05-9
Herb
HBIN034358
Npass
NPC191061
Tcmid
1344831490
Tcmsp
MOL005366
Sym Map
SMIT07139SMIT16422
Pub Chem
10416
Tcmbank
TCMBANKIN045182
Itcmdb Generated
ITX-INGREDIENT-CC6B0B2E6160
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)
Mol Wt
280.4519999999999
Cas Id
503-05-9
Mol Log P
5.862500000000006
Version
v1,v2
In Ch Ikey
HPSSZFFAYWBIPY-UHFFFAOYSA-N
Ob Score
30.98830.98846042
Suppress
0
Tcm Name
木槿子
Tcm Name2
MU JIN ZI
Mol2 Path
/TCM_database/2007_3d_all/13455.mol2
Reference
6
Num Hdonors
1
Tcm Name En
Shrubalthea Fruit
Drug Likeness
0.319
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCC1=C(C1)CCCCCCC(=O)O
Molecule Weight
280.5
Canonical Smiles
CCCCCCCCC1=C(C1)CCCCCCC(=O)O
Herb Alias Names
MALVALIC ACID503-05-9Halphen acidMalvalsaeureHalphenic acidMalvalinic acid7-(2-octylcyclopropen-1-yl)heptanoic acidUNII-02AJQ7VS2H02AJQ7VS2H
Molecular Formula
C18H32O2
Num Rotatable Bonds
14