Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 9Herb: 12Ingredient: 1Meta-analysis: 3Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1997
- Core Entity Id
- 5408
- Source Entity Count
- 1
- Preferred Name
- Salicylic acid
- Name En
- Pubchem Id
- 338
- Smiles Canonical
- C1=CC=C(C(=C1)C(=O)O)O
- Molecular Formula
- C7H6O3
- Molecular Weight
- 138.1220
- Inchikey
- YGSDEFSMJLZEOE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
- Isomeric Smiles
- C1=CC=C(C(=C1)C(=O)O)O
- Cas Id
- 69-72-7
- Ob Score
- 32.1270
- Mol Logp
- 1.0904
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6100
- Polar Surface Area
- 57.5300
- Molecular Volume
- 102.2100
- Alogp
- 1.2170
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-hydroxybenzoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-hydroxybenzoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-hydroxybenzoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-hydroxybenzoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Salicylic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Salicylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Salicylic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Salicylic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
板蓝根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAN LAN GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Indigowoad Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
105910_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2-CARBOXYBENZENOLATE
Role
alias
Source
TCMBank
Preferred
No
Name
2-Carboxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Carboxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Carboxyphenol
Role
alias
Source
TCMBank
Preferred
No
Name
2-HYDROXYPHENYLFORMATE
Role
alias
Source
TCMBank
Preferred
No
Name
2-Hydroxybenzenecarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-Hydroxybenzoate (Na+)
Role
alias
Source
TCMBank
Preferred
No
Name
2-Hydroxybenzoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
2-Hydroxybenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxybenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxybenzoic acid anion
Role
alias
Source
TCMBank
Preferred
No
Name
2-Hydroxybenzoic acid ion(1-)
Role
alias
Source
TCMBank
Preferred
No
Name
2-Oxylatobenzoate
Role
alias
Source
TCMBank
Preferred
No
Name
2-hydroxy-benzoate
Role
alias
Source
TCMBank
Preferred
No
Name
247588_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
25496-36-0
Role
alias
Source
TCMBank
Preferred
No
Name
27301_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
2y7k
Role
alias
Source
TCMBank
Preferred
No
Name
2y7p
Role
alias
Source
TCMBank
Preferred
No
Name
2y7w
Role
alias
Source
TCMBank
Preferred
No
Name
3- coffee acid
Role
alias
Source
TCMBank
Preferred
No
Name
3198-EP2289876A1
Role
alias
Source
TCMBank
Preferred
No
Name
3198-EP2298777A2
Role
alias
Source
TCMBank
Preferred
No
Name
3198-EP2314295A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2269978A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2269985A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2269991A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2272847A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2275102A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2275420A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2277875A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2277876A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2280008A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2284150A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2284151A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2284152A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2284153A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2284155A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2284156A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2284164A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2284170A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2284178A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2284179A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2287140A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2287148A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2287150A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2289871A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2292590A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2292593A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2292595A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2292614A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2295412A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2295413A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2295416A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2295419A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2295432A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2295550A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2298732A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2298735A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2298743A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2298748A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2298764A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2298765A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2298777A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2301534A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2301912A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2301913A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2301914A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2301916A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2301927A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2305243A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2305260A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2305637A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2305671A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2305688A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2308832A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2308863A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2311451A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2311796A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2311797A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2311798A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2311799A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2311825A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2311835A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2311842A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2314295A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2314578A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2316450A1
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2316470A2
Role
alias
Source
TCMBank
Preferred
No
Name
3320-EP2316835A1
Role
alias
Source
TCMBank
Preferred
No
Name
3gf2
Role
alias
Source
TCMBank
Preferred
No
Name
3twp
Role
alias
Source
TCMBank
Preferred
No
Name
54-21-7 (SODIUM SALT)
Role
alias
Source
TCMBank
Preferred
No
Name
63-36-5
Role
alias
Source
TCMBank
Preferred
No
Name
69-72-7
Role
alias
Source
TCMBank
Preferred
No
Name
69-72-7
Role
alias
Source
HERB_v2
Preferred
No
Name
69-72-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
7681-06-3
Role
alias
Source
TCMBank
Preferred
No
Name
8052-31-1
Role
alias
Source
TCMBank
Preferred
No
Name
84210_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AB00053542_03
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L1JPL
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q5BFS
Role
alias
Source
TCMBank
Preferred
No
Name
ACS No 10
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-02407
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-006789
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS005447222
Role
alias
Source
TCMBank
Preferred
No
Name
Acido o-idrossibenzoico [Italian]
Role
alias
Source
TCMBank
Preferred
No
Name
Acido salicilico [Italian]
Role
alias
Source
TCMBank
Preferred
No
Name
Acidum salicylicum
Role
alias
Source
TCMBank
Preferred
No
Name
Advanced Pain Relief Callus Removers
Role
alias
Source
TCMBank
Preferred
No
Name
Advanced Pain Relief Corn Removers
Role
alias
Source
TCMBank
Preferred
No
Name
BBL000698
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM85513
Role
alias
Source
TCMBank
Preferred
No
Name
BENZOIC ACID,2-HYDROXY SALICYLIC ACID
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0774890
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoic acid, 2-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoic acid, 2-hydroxy- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoic acid, 2-hydroxy-, ion(1-)
Role
alias
Source
TCMBank
Preferred
No
Name
C00805
Role
alias
Source
TCMBank
Preferred
No
Name
CAS_54-21-7
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 6714
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:16914
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:30762
Role
alias
Source
TCMBank
Preferred
No
Name
CJ-00055
Role
alias
Source
TCMBank
Preferred
No
Name
CMC_13852
Role
alias
Source
TCMBank
Preferred
No
Name
CPD-110
Role
alias
Source
TCMBank
Preferred
No
Name
CTK5I4917
Role
alias
Source
TCMBank
Preferred
No
Name
Caswell No. 731
Role
alias
Source
TCMBank
Preferred
No
Name
Clear away Wart Remover
Role
alias
Source
TCMBank
Preferred
No
Name
Compound w
Role
alias
Source
TCMBank
Preferred
No
Name
D00097
Role
alias
Source
TCMBank
Preferred
No
Name
DivK1c_000301
Role
alias
Source
TCMBank
Preferred
No
Name
Domerine
Role
alias
Source
TCMBank
Preferred
No
Name
Dr. Scholl's Callus Removers
Role
alias
Source
TCMBank
Preferred
No
Name
Dr. Scholl's Corn Removers
Role
alias
Source
TCMBank
Preferred
No
Name
Dr. Scholl's Wart Remover Kit
Role
alias
Source
TCMBank
Preferred
No
Name
Duofil Wart Remover
Role
alias
Source
TCMBank
Preferred
No
Name
Duofilm
Role
alias
Source
TCMBank
Preferred
No
Name
Duoplant
Role
alias
Source
itcmdb_public
Preferred
No
Name
Duoplant
Role
alias
Source
TCMBank
Preferred
No
Name
Duoplant
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 200-712-3
Role
alias
Source
TCMBank
Preferred
No
Name
EPA Pesticide Chemical Code 076602
Role
alias
Source
TCMBank
Preferred
No
Name
Freezone
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 672
Role
alias
Source
TCMBank
Preferred
No
Name
IDI1_000301
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10
Role
alias
Source
TCMBank
Preferred
No
Name
Ionil
Role
alias
Source
TCMBank
Preferred
No
Name
Ionil-Plus
Role
alias
Source
TCMBank
Preferred
No
Name
K 537
Role
alias
Source
TCMBank
Preferred
No
Name
KBio1_000301
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_001428
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_003996
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_006564
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_001428
Role
alias
Source
TCMBank
Preferred
No
Name
Keralyt
Role
alias
Source
TCMBank
Preferred
No
Name
Kyselina 2-hydroxybenzoova [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
Kyselina salicylova [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
LS-144344
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00984876
Role
alias
Source
TCMBank
Preferred
No
Name
MLS000069653
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-003-710-545
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00159447-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00159447-04
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00178624-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00178624-03
Role
alias
Source
TCMBank
Preferred
No
Name
NINDS_000301
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 180
Role
alias
Source
TCMBank
Preferred
No
Name
NSC_5900
Role
alias
Source
TCMBank
Preferred
No
Name
O-hydroxybenzoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Occlusal
Role
alias
Source
TCMBank
Preferred
No
Name
Oprea1_040343
Role
alias
Source
TCMBank
Preferred
No
Name
Orthohydroxybenzoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Phenol-2-carboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Psoriacid-S-Stift
Role
alias
Source
TCMBank
Preferred
No
Name
Retarder W
Role
alias
Source
itcmdb_public
Preferred
No
Name
Retarder W
Role
alias
Source
TCMBank
Preferred
No
Name
Retarder W
Role
alias
Source
HERB_v2
Preferred
No
Name
Rutranex
Role
alias
Source
HERB_v2
Preferred
No
Name
Rutranex
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rutranex
Role
alias
Source
TCMBank
Preferred
No
Name
S5922_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
S7401_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
S8519_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
SAL
Role
alias
Source
TCMBank
Preferred
No
Name
SGCUT00012
Role
alias
Source
TCMBank
Preferred
No
Name
SMP2_000145
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000059163
Role
alias
Source
TCMBank
Preferred
No
Name
STK258681
Role
alias
Source
TCMBank
Preferred
No
Name
STK372903
Role
alias
Source
TCMBank
Preferred
No
Name
Salicylate anion
Role
alias
Source
TCMBank
Preferred
No
Name
Salicylate ion
Role
alias
Source
TCMBank
Preferred
No
Name
Salicylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Salicylic acid & Sulfur Soap
Role
alias
Source
TCMBank
Preferred
No
Name
Salicylic acid (6CI,8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Salicylic acid (JP15/USP)
Role
alias
Source
TCMBank
Preferred
No
Name
Salicylic acid (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Salicylic acid [USAN:JAN]
Role
alias
Source
TCMBank
Preferred
No
Name
Salicylic acid collodion
Role
alias
Source
TCMBank
Preferred
No
Name
Salicylic acid soap
Role
alias
Source
TCMBank
Preferred
No
Name
Salicylic acid, ion(1-)
Role
alias
Source
TCMBank
Preferred
No
Name
Salicylic acid, tech.
Role
alias
Source
TCMBank
Preferred
No
Name
Salicylic acid-ring-UL-14C
Role
alias
Source
TCMBank
Preferred
No
Name
Saligel
Role
alias
Source
TCMBank
Preferred
No
Name
Salonil
Role
alias
Source
TCMBank
Preferred
No
Name
Salonil
Role
alias
Source
itcmdb_public
Preferred
No
Name
Salonil
Role
alias
Source
HERB_v2
Preferred
No
Name
Sebucare
Role
alias
Source
TCMBank
Preferred
No
Name
Sebulex
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_000948
Role
alias
Source
TCMBank
Preferred
No
Name
Stri-Dex
Role
alias
Source
TCMBank
Preferred
No
Name
T7104
Role
alias
Source
TCMBank
Preferred
No
Name
Thick-stemmed black base
Role
alias
Source
TCMBank
Preferred
No
Name
Trans-Ver-Sal
Role
alias
Source
TCMBank
Preferred
No
Name
UPCMLD-DP126:001
Role
alias
Source
TCMBank
Preferred
No
Name
Verrugon
Role
alias
Source
TCMBank
Preferred
No
Name
W398500_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: QVR BQ
Role
alias
Source
TCMBank
Preferred
No
Name
YGSDEFSMJLZEOE-UHFFFAOYSA-M
Role
alias
Source
TCMBank
Preferred
No
Name
ZB000360
Role
alias
Source
TCMBank
Preferred
No
Name
hydroxybenzoate
Role
alias
Source
TCMBank
Preferred
No
Name
o-Carboxyphenol
Role
alias
Source
TCMBank
Preferred
No
Name
o-Carboxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
o-Carboxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
o-Hydrobenzoate
Role
alias
Source
TCMBank
Preferred
No
Name
o-Hydrobenzoic Acid
Role
alias
Source
TCMBank
Preferred
No
Name
o-Hydroxybenzoate
Role
alias
Source
TCMBank
Preferred
No
Name
o-Hydroxybenzoate anion
Role
alias
Source
TCMBank
Preferred
No
Name
o-hydroxybenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
o-hydroxybenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
salicylate
Role
alias
Source
TCMBank
Preferred
No
Name
salicylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
salicylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
to_000004
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-hydroxybenzoic acid板蓝根BAN LAN GENIndigowoad Root105910_ALDRICH2-CARBOXYBENZENOLATE2-Carboxyphenol2-HYDROXYPHENYLFORMATE2-Hydroxybenzenecarboxylic acid2-Hydroxybenzoate (Na+)2-Hydroxybenzoic acid anion2-Hydroxybenzoic acid ion(1-)2-Oxylatobenzoate2-hydroxy-benzoate247588_SIAL25496-36-027301_SIAL2y7k2y7p2y7w3- coffee acid3198-EP2289876A13198-EP2298777A23198-EP2314295A13320-EP2269978A23320-EP2269985A23320-EP2269991A23320-EP2272847A13320-EP2275102A13320-EP2275420A13320-EP2277875A23320-EP2277876A13320-EP2280008A23320-EP2284150A23320-EP2284151A23320-EP2284152A23320-EP2284153A23320-EP2284155A23320-EP2284156A23320-EP2284164A23320-EP2284170A13320-EP2284178A23320-EP2284179A23320-EP2287140A23320-EP2287148A23320-EP2287150A23320-EP2289871A13320-EP2292590A23320-EP2292593A23320-EP2292595A13320-EP2292614A13320-EP2295412A13320-EP2295413A13320-EP2295416A23320-EP2295419A23320-EP2295432A13320-EP2295550A23320-EP2298732A13320-EP2298735A13320-EP2298743A13320-EP2298748A23320-EP2298764A13320-EP2298765A13320-EP2298777A23320-EP2301534A13320-EP2301912A23320-EP2301913A13320-EP2301914A13320-EP2301916A23320-EP2301927A13320-EP2305243A13320-EP2305260A13320-EP2305637A23320-EP2305671A13320-EP2305688A13320-EP2308832A13320-EP2308863A13320-EP2311451A13320-EP2311796A13320-EP2311797A13320-EP2311798A13320-EP2311799A13320-EP2311825A13320-EP2311835A13320-EP2311842A23320-EP2314295A13320-EP2314578A13320-EP2316450A13320-EP2316470A23320-EP2316835A13gf23twp54-21-7 (SODIUM SALT)63-36-569-72-77681-06-38052-31-184210_FLUKAAB00053542_03AC1L1JPLAC1Q5BFSACS No 10AI3-02407AIDS-006789AKOS005447222Acido o-idrossibenzoico [Italian]Acido salicilico [Italian]Acidum salicylicumAdvanced Pain Relief Callus RemoversAdvanced Pain Relief Corn RemoversBBL000698BDBM85513BENZOIC ACID,2-HYDROXY SALICYLIC ACIDBRN 0774890Benzoic acid, 2-hydroxy-Benzoic acid, 2-hydroxy- (9CI)Benzoic acid, 2-hydroxy-, ion(1-)C00805CAS_54-21-7CCRIS 6714CHEBI:16914CHEBI:30762CJ-00055CMC_13852CPD-110CTK5I4917Caswell No. 731Clear away Wart RemoverCompound wD00097DivK1c_000301DomerineDr. Scholl's Callus RemoversDr. Scholl's Corn RemoversDr. Scholl's Wart Remover KitDuofil Wart RemoverDuofilmDuoplantEINECS 200-712-3EPA Pesticide Chemical Code 076602FreezoneHSDB 672IDI1_000301InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10IonilIonil-PlusK 537KBio1_000301KBio2_001428KBio2_003996KBio2_006564KBioSS_001428KeralytKyselina 2-hydroxybenzoova [Czech]Kyselina salicylova [Czech]LS-144344MFCD00984876MLS000069653MolPort-003-710-545NCGC00159447-02NCGC00159447-04NCGC00178624-02NCGC00178624-03NINDS_000301NSC 180NSC_5900O-hydroxybenzoic acidOcclusalOprea1_040343Orthohydroxybenzoic acidPhenol-2-carboxylic acidPsoriacid-S-StiftRetarder WRutranexS5922_SIGMAS7401_SIGMAS8519_SIGMASALSGCUT00012SMP2_000145SMR000059163STK258681STK372903Salicylate anionSalicylate ionSalicylic acid & Sulfur SoapSalicylic acid (6CI,8CI)Salicylic acid (JP15/USP)Salicylic acid (TN)Salicylic acid [USAN:JAN]Salicylic acid collodionSalicylic acid soapSalicylic acid, ion(1-)Salicylic acid, tech.Salicylic acid-ring-UL-14CSaligelSalonilSebucareSebulexSpectrum_000948Stri-DexT7104Thick-stemmed black baseTrans-Ver-SalUPCMLD-DP126:001VerrugonW398500_ALDRICHWLN: QVR BQYGSDEFSMJLZEOE-UHFFFAOYSA-MZB000360hydroxybenzoateo-Carboxyphenolo-Hydrobenzoateo-Hydrobenzoic Acido-Hydroxybenzoateo-Hydroxybenzoate anionsalicylateto_000004
Cross References
Trusted external identifiers retained for this final record.
Cas
69-72-7
Hit
C0383
Herb
HBIN005780HBIN006869HBIN008395HBIN037887HBIN037888HBIN042852HBIN046304
Npass
NPC100551NPC20045
Tcmid
19172191732323032990329913444535930362053651837061
Tcmsp
MOL001801
Sym Map
SMIT00123SMIT02581
Tcm Id
1137711378113791138011381129913586135871508815089150901605116114173841909319094190952382323824
Pub Chem
33854675850
Tcmbank
TCMBANKIN044727TCMBANKIN053289TCMBANKIN058277
Drug Bank
DB00936
Etcm Ingredient
2-hydroxybenzoic acid
Itcmdb Generated
ITX-INGREDIENT-5EA1ECE5CFE5ITX-INGREDIENT-83F6F4BA30B2
Attributes
Merged source attributes and domain-specific metadata.
Ic
2.72192
Jx
3.05243
Jy
3.18571
Bic
0.71491
Cic
0.59999
Phi
1.79792
Sic
0.81938
Log D
-0.273
Sc 0
10
Sc 1
10
Sc 2
13
Alog P
1.217
Chi 0
7.56047
Chi 1
4.71521
Chi 2
4.16961
In Ch I
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
Mol Wt
138.122
Pmi X
31.832932.6623
Energy
14.7715.23
Sc 3 C
3
Sc 3 P
15
Smiles
C1=CC=C(C(=C1)C(=O)O)OC1=CC=C(C(=C1)C(=O)O)[O-]c1([H])c([H])c(C(=O)O[H])c(O[H])c([H])c1[H]
Zagreb
46
37 Flag
37
Chi 3 C
0.70511
Chi 3 P
3.03412
Chi V 0
5.11207
Chi V 1
2.72868
Chi V 2
1.8223
C Count
7
Kappa 1
8.1
Kappa 2
3.40828
Kappa 3
1.99111
Mol Log P
1.0904
N Count
0
O Count
3
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2
Alog P Mr
34.51
Chi 3 Ch
0
Dipole X
1.347851.64537
Dipole Y
-1.007890.68389
Dipole Z
-0.00002-0.0003
Iac Mean
1.50524
In Ch Ikey
YGSDEFSMJLZEOE-UHFFFAOYSA-N
Is Chiral
0
Ob Score
32.12698732.1269871832.127
Suppress
1
Tcm Name
板蓝根
Admet Bbb
-0.71
Chi V 3 C
0.18236
Chi V 3 P
1.13445
Es Sum D O
10.261
Es Sum T N
0
E Adj Equ
82.6746
E Adj Mag
122.211
Hba Count
1
Hbd Count
1
Iac Total
24.0839
Jurs Rasa
0.510990.51566
Jurs Rncg
0.31393
Jurs Rncs
11.974812.1766
Jurs Rpcg
0.64464
Jurs Rpcs
6.53935
Jurs Rpsa
0.484330.489
Jurs Sasa
272.723274.468
Jurs Tasa
139.361141.534
Jurs Tpsa
132.934133.362
Num Atoms
10
Num Bonds
10
Num Rings
1
Shadow Xy
39.8104
Shadow Xz
22.087522.3928
Shadow Yz
17.781317.8217
Shadow Nu
2.423492.44065
Tcm Name2
BAN LAN GEN
V Adj Equ
72.1928
V Adj Mag
86.4386
Mol2 Path
/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/人蔘/3D/Salicylic acid.mol2/TCM_database/2003_3d_all/7469.mol2
Reference
2, 658, 660, 3792, 5508
Chi V 3 Ch
0
Dipole Mag
1.683011.78184
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
17.305
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
6.9235
Kappa 2 Am
2.59684
Kappa 3 Am
1.4128
Num Hdonors
2
Num Chains
3
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
1
Num Rings7
0
Num Rings8
0
Es Count D O
1
Es Count T N
0
Es Sum Aa Ch
5.811
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
-0.267
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
0
Es Sum Dss C
-1.113
Es Sum S Ch3
0
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-226.833-228.578
Jurs Dpsa 3
48.964949.0427
Jurs Fnsa 1
0.915860.9164
Jurs Fnsa 2
-1.05045-1.05106
Jurs Fnsa 3
-0.16379-0.16512
Jurs Fpsa 1
0.083590.08413
Jurs Fpsa 2
0.037950.03819
Jurs Fpsa 3
0.014610.01471
Jurs Pnsa 1
249.778251.523
Jurs Pnsa 2
-286.48-288.482
Jurs Pnsa 3
-44.9547-45.0306
Jurs Ppsa 1
22.945
Jurs Ppsa 3
4.010274.01217
Jurs Wnsa 1
68.120169.035
Jurs Wnsa 2
-78.1298-79.1791
Jurs Wnsa 3
-12.2809-12.3386
Jurs Wpsa 1
6.257626.29766
Jurs Wpsa 3
1.094211.10069
Num Pi Bonds
0
Tcm Name En
Indigowoad Root
Admet Psa 2 D
58.931
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
2
Es Count Ss O
0
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
0
Es Sum Ss Nh2
0
Es Sum Sss Ch
0
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
3
Num H Donors
2
Admet Alog P98
1.217
Admet Ext Ppb
-3.36837
Drug Likeness
0.61
Es Count Aa Ch
4
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
2
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
0
Es Count Dss C
1
Es Count S Ch3
0
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
2
Num Fragments
1
Num Hydrogens
6
Num Ring Bonds
6
Organic Count
10
Rad Of Gyration
1.722971.72525
Shadow Xyfrac
0.705880.7068
Shadow Xzfrac
0.788350.79365
Shadow Yzfrac
0.765070.77124
Strain Energy
15.4415.9
Es Count Ss Ch2
0
Es Count Ss Nh2
0
Es Count Sss Ch
0
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
138.032
Molecular Sasa
292.296
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
8.240088.29836
Shadow Ylength
6.796276.83544
Shadow Zlength
3.400063.40008
Admet Bbb Level
3
Isomeric Smiles
C1=CC=C(C(=C1)C(=O)O)O
Molecular Savol
260.653
Molecule Weight
138.121|138.13
Num Atom Classes
10
Num Bridge Bonds
0
Num H Acceptors
3
Num Repeat Units
0
Admet Ext Cyp2 D6
-6.55954
Admet Solubility
-0.936
Canonical Smiles
C1=CC=C(C(=C1)C(=O)O)O
Herb Alias Names
salicylic acid69-72-7o-hydroxybenzoic acid2-Carboxyphenolo-CarboxyphenolRutranexSalonilRetarder WDuoplant
Minimized Energy
-0.67
Molecular Weight
138.030
Molecular Volume
102.21102.55
Molecular Weight
138.12138.12 g/mol138.121
Molecule Formula
C7H6O3
Num Macro Chains
0
Molecular Formula
C7H6O3
Molecular Formula
C7H6O3C7H6O3 or HOC6H4COOH
Molecular Formula
C7H6O3
Num Rotatable Bonds
1
Num Aromatic Bonds
6
Num Aromatic Rings
1
Num Explicit Atoms
10
Num Explicit Bonds
10
Num Negative Atoms
0
Num Positive Atoms
0
Link Ingredient Id
123.0
Num Macro Residues
0
Num Ring Assemblies
1
Num Rotatable Bonds
1
Molecular Polar Sasa
114.494
Num Bridge Head Atoms
0
Num Chain Assemblies
2
Num Meso Stereo Atoms
0
Molecular Solubility
-1.072
Admet Ext Hepatotoxic
-0.114516
Admet Unknown Alog P98
0
Molecular Surface Area
139.07
Num Explicit Hydrogens
0
Num H Donors Lipinski
2
Num Pseudo Stereo Atoms
0
Admet Absorption Level
0
Admet Solubility Level
4
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
3
Molecular Polar Surface Area
57.53
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.391
Admet Ext Ppb Applicability#Md
9.99879
Fda Maximum Daily Dose (Fdamdd)
0.004
Admet Ext Hepatotoxic#Prediction
1
Admet Ext Cyp2 D6 Applicability#Md
11.0234
Admet Ext Ppb Applicability#Mdpvalue
0.90491
Molecular Fractional Polar Surface Area
0.413
Admet Ext Hepatotoxic Applicability#Md
8.29179
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.021191
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.792142
Quantitative Estimate Of Drug Likeness（Qed）
0.610