Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Experiment: 3Herb: 12Ingredient: 1Reference: 1Target: 12Links: 28
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29253
- Core Entity Id
- 35702
- Source Entity Count
- 1
- Preferred Name
- Stearic acid
- Name En
- Pubchem Id
- 164708
- Smiles Canonical
- C(O[H])(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H ]
- Molecular Formula
- C18H36O2
- Molecular Weight
- 284.4840
- Inchikey
- QIQXTHQIDYTFRH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCC(=O)O
- Cas Id
- 1957-11-04
- Ob Score
- 17.8250
- Mol Logp
- 6.3325
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 16
- Drug Likeness
- 0.3360
- Polar Surface Area
- 37.0000
- Molecular Volume
- 228.0000
- Alogp
- 7.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Octadecanoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Octadecanoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Octadecanoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pearl fatty acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pearl fatty acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Stearic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Stearic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Stearic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
octadecanoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
stearic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
半边莲
Role
TCM_name
Source
TCMBank
Preferred
No
Name
白茅根;鱼腥草;海金沙;乳香;连翘;柿蒂;香橼;沙菀子;车前子;白扁豆
Role
TCM_name
Source
TCMBank
Preferred
No
Name
羌活
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Citrus medica L;Bupleurum chinense;Plantago depressa
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
QIANG HUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
BAI MAO GEN;Houttuynia cordata;Lygodium japonicum;RU XIANG;Forsythia suspense;SHI DI;XIANG YUAN;SHA WAN ZI;Radix Bupleuri;Plantain herb;Dolichos lablab
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Incised Notopterygium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Lobelia chinensis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1-Heptadecanecarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Heptadecanecarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Heptadecanecarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
126539-56-8
Role
alias
Source
TCMBank
Preferred
No
Name
134503-33-6
Role
alias
Source
TCMBank
Preferred
No
Name
175366_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
17FA
Role
alias
Source
TCMBank
Preferred
No
Name
27405_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
30399-84-9
Role
alias
Source
TCMBank
Preferred
No
Name
39390-61-9
Role
alias
Source
TCMBank
Preferred
No
Name
3uex
Role
alias
Source
TCMBank
Preferred
No
Name
4-02-00-01206 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
400JB9103-88
Role
alias
Source
TCMBank
Preferred
No
Name
57-11-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
57-11-4
Role
alias
Source
HERB_v2
Preferred
No
Name
57-11-4
Role
alias
Source
TCMBank
Preferred
No
Name
57485-56-0
Role
alias
Source
TCMBank
Preferred
No
Name
58392-66-8
Role
alias
Source
TCMBank
Preferred
No
Name
609343-71-7
Role
alias
Source
TCMBank
Preferred
No
Name
646-29-7
Role
alias
Source
TCMBank
Preferred
No
Name
68937-76-8
Role
alias
Source
TCMBank
Preferred
No
Name
73297_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
8013-28-3
Role
alias
Source
TCMBank
Preferred
No
Name
8023-06-1
Role
alias
Source
TCMBank
Preferred
No
Name
8037-40-9
Role
alias
Source
TCMBank
Preferred
No
Name
8037-83-0
Role
alias
Source
TCMBank
Preferred
No
Name
8039-51-8
Role
alias
Source
TCMBank
Preferred
No
Name
8039-52-9
Role
alias
Source
TCMBank
Preferred
No
Name
8039-53-0
Role
alias
Source
TCMBank
Preferred
No
Name
8039-54-1
Role
alias
Source
TCMBank
Preferred
No
Name
822-16-2 (SODIUM SALT)
Role
alias
Source
TCMBank
Preferred
No
Name
82497-27-6
Role
alias
Source
TCMBank
Preferred
No
Name
85404-83-7
Role
alias
Source
TCMBank
Preferred
No
Name
85679_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
875D
Role
alias
Source
TCMBank
Preferred
No
Name
A 1760
Role
alias
Source
TCMBank
Preferred
No
Name
AC1MHWEJ
Role
alias
Source
TCMBank
Preferred
No
Name
AFCO-Chem B 65
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-00909
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-049230
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS022105769
Role
alias
Source
TCMBank
Preferred
No
Name
Acidum stearinicul
Role
alias
Source
TCMBank
Preferred
No
Name
Adeka Fatty Acid SA 910
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0608585
Role
alias
Source
TCMBank
Preferred
No
Name
Barolub FTA
Role
alias
Source
TCMBank
Preferred
No
Name
C-Lube 10
Role
alias
Source
TCMBank
Preferred
No
Name
C01530
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 2305
Role
alias
Source
TCMBank
Preferred
No
Name
CH3-[CH2]16-COO(-)
Role
alias
Source
TCMBank
Preferred
No
Name
CH3-[CH2]16-COOH
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:25629
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:28842
Role
alias
Source
TCMBank
Preferred
No
Name
CTK8J8420
Role
alias
Source
TCMBank
Preferred
No
Name
Caswell No. 801D
Role
alias
Source
TCMBank
Preferred
No
Name
Century 1210
Role
alias
Source
TCMBank
Preferred
No
Name
Century 1220
Role
alias
Source
TCMBank
Preferred
No
Name
Century 1230
Role
alias
Source
TCMBank
Preferred
No
Name
Century 1240
Role
alias
Source
TCMBank
Preferred
No
Name
Cetylacetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Cetylacetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cetylacetic acid
Role
alias
Source
TCMBank
Preferred
No
Name
D00119
Role
alias
Source
TCMBank
Preferred
No
Name
Dar-chem 14
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 200-313-4
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 250-178-0
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 273-087-8
Role
alias
Source
TCMBank
Preferred
No
Name
EPA Pesticide Chemical Code 079082
Role
alias
Source
TCMBank
Preferred
No
Name
Edenor C 18/98
Role
alias
Source
TCMBank
Preferred
No
Name
Edenor C18
Role
alias
Source
TCMBank
Preferred
No
Name
Edenor FHTI
Role
alias
Source
TCMBank
Preferred
No
Name
Edenor HT-JG 60
Role
alias
Source
TCMBank
Preferred
No
Name
Edenor ST 1
Role
alias
Source
TCMBank
Preferred
No
Name
Edenor ST 20
Role
alias
Source
TCMBank
Preferred
No
Name
Emersol 120
Role
alias
Source
TCMBank
Preferred
No
Name
Emersol 132
Role
alias
Source
TCMBank
Preferred
No
Name
Emersol 150
Role
alias
Source
TCMBank
Preferred
No
Name
Emersol 153NF
Role
alias
Source
TCMBank
Preferred
No
Name
Emersol 6349
Role
alias
Source
TCMBank
Preferred
No
Name
Emersol 871
Role
alias
Source
TCMBank
Preferred
No
Name
Emersol 875
Role
alias
Source
TCMBank
Preferred
No
Name
Emery 871
Role
alias
Source
TCMBank
Preferred
No
Name
Emery 875D
Role
alias
Source
TCMBank
Preferred
No
Name
F 3 (lubricant)
Role
alias
Source
TCMBank
Preferred
No
Name
FA 1655
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 3035
Role
alias
Source
TCMBank
Preferred
No
Name
Fatty acids C16-18
Role
alias
Source
TCMBank
Preferred
No
Name
Fatty acids, C16-20
Role
alias
Source
TCMBank
Preferred
No
Name
Formula 300
Role
alias
Source
TCMBank
Preferred
No
Name
G 270
Role
alias
Source
TCMBank
Preferred
No
Name
Glycon S-70
Role
alias
Source
TCMBank
Preferred
No
Name
Glycon S-80
Role
alias
Source
TCMBank
Preferred
No
Name
Glycon S-90
Role
alias
Source
TCMBank
Preferred
No
Name
Glycon dp
Role
alias
Source
TCMBank
Preferred
No
Name
Glycon tp
Role
alias
Source
TCMBank
Preferred
No
Name
Groco 54
Role
alias
Source
TCMBank
Preferred
No
Name
Groco 55
Role
alias
Source
TCMBank
Preferred
No
Name
Groco 55l
Role
alias
Source
TCMBank
Preferred
No
Name
Groco 58
Role
alias
Source
TCMBank
Preferred
No
Name
Groco 59
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 2000
Role
alias
Source
TCMBank
Preferred
No
Name
Haimaric MKH(R)
Role
alias
Source
TCMBank
Preferred
No
Name
Humko Industrene R
Role
alias
Source
TCMBank
Preferred
No
Name
Hy-phi 1199
Role
alias
Source
TCMBank
Preferred
No
Name
Hy-phi 1205
Role
alias
Source
TCMBank
Preferred
No
Name
Hy-phi 1303
Role
alias
Source
TCMBank
Preferred
No
Name
Hy-phi 1401
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrofol 1895
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrofol Acid 150
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrofol Acid 150 (VAN)
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrofol Acid 1895
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrofol acid 1655
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrofol acid 1855
Role
alias
Source
TCMBank
Preferred
No
Name
Hystrene 4516
Role
alias
Source
TCMBank
Preferred
No
Name
Hystrene 5016
Role
alias
Source
TCMBank
Preferred
No
Name
Hystrene 7018
Role
alias
Source
TCMBank
Preferred
No
Name
Hystrene 80
Role
alias
Source
TCMBank
Preferred
No
Name
Hystrene 9718
Role
alias
Source
TCMBank
Preferred
No
Name
Hystrene 9718NF
Role
alias
Source
TCMBank
Preferred
No
Name
Hystrene 9718NFFG
Role
alias
Source
TCMBank
Preferred
No
Name
Hystrene S-97
Role
alias
Source
TCMBank
Preferred
No
Name
Hystrene T 70
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20
Role
alias
Source
TCMBank
Preferred
No
Name
Industrene 5016
Role
alias
Source
TCMBank
Preferred
No
Name
Industrene 5016K
Role
alias
Source
TCMBank
Preferred
No
Name
Industrene 8718
Role
alias
Source
TCMBank
Preferred
No
Name
Industrene 9018
Role
alias
Source
TCMBank
Preferred
No
Name
Industrene R
Role
alias
Source
TCMBank
Preferred
No
Name
Isostearic acid EX
Role
alias
Source
TCMBank
Preferred
No
Name
Kam 1000
Role
alias
Source
TCMBank
Preferred
No
Name
Kam 2000
Role
alias
Source
TCMBank
Preferred
No
Name
Kam 3000
Role
alias
Source
TCMBank
Preferred
No
Name
Kortacid 1895
Role
alias
Source
TCMBank
Preferred
No
Name
LMFA01010018
Role
alias
Source
TCMBank
Preferred
No
Name
LS-1388
Role
alias
Source
TCMBank
Preferred
No
Name
LS-2392
Role
alias
Source
TCMBank
Preferred
No
Name
LS-97707
Role
alias
Source
TCMBank
Preferred
No
Name
Loxiol G 20
Role
alias
Source
TCMBank
Preferred
No
Name
Lunac 30
Role
alias
Source
TCMBank
Preferred
No
Name
Lunac S 20
Role
alias
Source
TCMBank
Preferred
No
Name
Lunac S 30
Role
alias
Source
TCMBank
Preferred
No
Name
Lunac S 40
Role
alias
Source
TCMBank
Preferred
No
Name
Lunac S 50
Role
alias
Source
TCMBank
Preferred
No
Name
Lunac S 90
Role
alias
Source
TCMBank
Preferred
No
Name
Lunac S 90KC
Role
alias
Source
TCMBank
Preferred
No
Name
Lunac S 98
Role
alias
Source
TCMBank
Preferred
No
Name
Lunac YA
Role
alias
Source
TCMBank
Preferred
No
Name
NAA 173
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091596-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091596-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00164255-02
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 25956
Role
alias
Source
TCMBank
Preferred
No
Name
Neo-Fat 18
Role
alias
Source
TCMBank
Preferred
No
Name
Neo-Fat 18-53
Role
alias
Source
TCMBank
Preferred
No
Name
Neo-Fat 18-54
Role
alias
Source
TCMBank
Preferred
No
Name
Neo-Fat 18-55
Role
alias
Source
TCMBank
Preferred
No
Name
Neo-Fat 18-59
Role
alias
Source
TCMBank
Preferred
No
Name
Neo-Fat 18-61
Role
alias
Source
TCMBank
Preferred
No
Name
Neo-Fat 18-S
Role
alias
Source
TCMBank
Preferred
No
Name
Nonsoul SK 1
Role
alias
Source
TCMBank
Preferred
No
Name
Nonsoul SN 1 (*Sodium salt*)
Role
alias
Source
TCMBank
Preferred
No
Name
Octadecanoate
Role
alias
Source
TCMBank
Preferred
No
Name
Octadecanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Octadecanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Octadecanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Octadecanoic acid (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Octadecanoic acid, ion(1-)
Role
alias
Source
TCMBank
Preferred
No
Name
Octadecansaeure
Role
alias
Source
HERB_v2
Preferred
No
Name
Octadecansaeure
Role
alias
Source
TCMBank
Preferred
No
Name
Octadecansaeure
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oktadekansaeure
Role
alias
Source
TCMBank
Preferred
No
Name
PD 185
Role
alias
Source
TCMBank
Preferred
No
Name
Palmitic acid - stearic acid mixture
Role
alias
Source
TCMBank
Preferred
No
Name
Pearl stearic
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pearl stearic
Role
alias
Source
TCMBank
Preferred
No
Name
Pearl stearic
Role
alias
Source
HERB_v2
Preferred
No
Name
Prifac 2918
Role
alias
Source
TCMBank
Preferred
No
Name
Prisorine 3501
Role
alias
Source
TCMBank
Preferred
No
Name
Prisorine 3502
Role
alias
Source
TCMBank
Preferred
No
Name
Prisorine 3508
Role
alias
Source
TCMBank
Preferred
No
Name
Pristerene 4900
Role
alias
Source
TCMBank
Preferred
No
Name
Pristerene 4963
Role
alias
Source
TCMBank
Preferred
No
Name
Pristerene 9429
Role
alias
Source
TCMBank
Preferred
No
Name
Pristerene 9559
Role
alias
Source
TCMBank
Preferred
No
Name
QIQXTHQIDYTFRH-UHFFFAOYSA-M
Role
alias
Source
TCMBank
Preferred
No
Name
Radiacid 0427
Role
alias
Source
TCMBank
Preferred
No
Name
S 300
Role
alias
Source
TCMBank
Preferred
No
Name
S 300 (fatty acid)
Role
alias
Source
TCMBank
Preferred
No
Name
S 30C S 30C (fatty acid)
Role
alias
Source
TCMBank
Preferred
No
Name
S4751_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
SA 200
Role
alias
Source
TCMBank
Preferred
No
Name
SNA-2000 (*Sodium salt*)
Role
alias
Source
TCMBank
Preferred
No
Name
ST023799
Role
alias
Source
TCMBank
Preferred
No
Name
STE
Role
alias
Source
TCMBank
Preferred
No
Name
STL280244
Role
alias
Source
TCMBank
Preferred
No
Name
Selosol 920
Role
alias
Source
TCMBank
Preferred
No
Name
Serfax MT 90
Role
alias
Source
TCMBank
Preferred
No
Name
Stearate
Role
alias
Source
TCMBank
Preferred
No
Name
Stearex Beads
Role
alias
Source
HERB_v2
Preferred
No
Name
Stearex Beads
Role
alias
Source
itcmdb_public
Preferred
No
Name
Stearex Beads
Role
alias
Source
TCMBank
Preferred
No
Name
Stearic Acid Cherry
Role
alias
Source
TCMBank
Preferred
No
Name
Stearic acid (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Stearic acid (JP15/NF)
Role
alias
Source
TCMBank
Preferred
No
Name
Stearic acid (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Stearic acid - palmitic acid mixture
Role
alias
Source
TCMBank
Preferred
No
Name
Stearic acid 50
Role
alias
Source
TCMBank
Preferred
No
Name
Stearic acid [USAN:JAN]
Role
alias
Source
TCMBank
Preferred
No
Name
Stearic acid ion(1-)salt
Role
alias
Source
TCMBank
Preferred
No
Name
Stearic acid, ion(1-) (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Stearic acid, pure
Role
alias
Source
TCMBank
Preferred
No
Name
Stearinsaeure
Role
alias
Source
TCMBank
Preferred
No
Name
Stearophanic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Stearophanic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Stearophanic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Steric acid
Role
alias
Source
TCMBank
Preferred
No
Name
Sunfat 18S
Role
alias
Source
TCMBank
Preferred
No
Name
Tegostearic 254
Role
alias
Source
TCMBank
Preferred
No
Name
Tegostearic 255
Role
alias
Source
TCMBank
Preferred
No
Name
Tegostearic 272
Role
alias
Source
TCMBank
Preferred
No
Name
Unimac 5680
Role
alias
Source
TCMBank
Preferred
No
Name
Unister NAA 180
Role
alias
Source
TCMBank
Preferred
No
Name
VLZ 200
Role
alias
Source
TCMBank
Preferred
No
Name
Vanicol
Role
alias
Source
TCMBank
Preferred
No
Name
Vis-Plus
Role
alias
Source
TCMBank
Preferred
No
Name
W303518_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: QV17
Role
alias
Source
TCMBank
Preferred
No
Name
WO 2
Role
alias
Source
TCMBank
Preferred
No
Name
WO 2 (fatty acid)
Role
alias
Source
TCMBank
Preferred
No
Name
acide octadecanoique
Role
alias
Source
TCMBank
Preferred
No
Name
acide stearique
Role
alias
Source
TCMBank
Preferred
No
Name
n-Octadecanoate
Role
alias
Source
TCMBank
Preferred
No
Name
n-Octadecanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
n-Octadecanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Octadecanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
octadecanoate (n-C18:0)
Role
alias
Source
TCMBank
Preferred
No
Name
octadecoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
stearic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
stearic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
stearic acid, ion(1-)
Role
alias
Source
TCMBank
Preferred
No
Name
stearicacid
Role
alias
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
7.止血药(25-26)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
hemostatic medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.凉血止血药(8-9)
Role
level2_name
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-cooling hemostatic medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Octadecanoic AcidPearl fatty acid半边莲白茅根;鱼腥草;海金沙;乳香;连翘;柿蒂;香橼;沙菀子;车前子;白扁豆羌活Citrus medica L;Bupleurum chinense;Plantago depressaQIANG HUOBAI MAO GEN;Houttuynia cordata;Lygodium japonicum;RU XIANG;Forsythia suspense;SHI DI;XIANG YUAN;SHA WAN ZI;Radix Bupleuri;Plantain herb;Dolichos lablabIncised NotopterygiumLobelia chinensis1-Heptadecanecarboxylic acid126539-56-8134503-33-6175366_SIAL17FA27405_RIEDEL30399-84-939390-61-93uex4-02-00-01206 (Beilstein Handbook Reference)400JB9103-8857-11-457485-56-058392-66-8609343-71-7646-29-768937-76-873297_FLUKA8013-28-38023-06-18037-40-98037-83-08039-51-88039-52-98039-53-08039-54-1822-16-2 (SODIUM SALT)82497-27-685404-83-785679_FLUKA875DA 1760AC1MHWEJAFCO-Chem B 65AI3-00909AIDS-049230AKOS022105769Acidum steariniculAdeka Fatty Acid SA 910BRN 0608585Barolub FTAC-Lube 10C01530CCRIS 2305CH3-[CH2]16-COO(-)CH3-[CH2]16-COOHCHEBI:25629CHEBI:28842CTK8J8420Caswell No. 801DCentury 1210Century 1220Century 1230Century 1240Cetylacetic acidD00119Dar-chem 14EINECS 200-313-4EINECS 250-178-0EINECS 273-087-8EPA Pesticide Chemical Code 079082Edenor C 18/98Edenor C18Edenor FHTIEdenor HT-JG 60Edenor ST 1Edenor ST 20Emersol 120Emersol 132Emersol 150Emersol 153NFEmersol 6349Emersol 871Emersol 875Emery 871Emery 875DF 3 (lubricant)FA 1655FEMA No. 3035Fatty acids C16-18Fatty acids, C16-20Formula 300G 270Glycon S-70Glycon S-80Glycon S-90Glycon dpGlycon tpGroco 54Groco 55Groco 55lGroco 58Groco 59HSDB 2000Haimaric MKH(R)Humko Industrene RHy-phi 1199Hy-phi 1205Hy-phi 1303Hy-phi 1401Hydrofol 1895Hydrofol Acid 150Hydrofol Acid 150 (VAN)Hydrofol Acid 1895Hydrofol acid 1655Hydrofol acid 1855Hystrene 4516Hystrene 5016Hystrene 7018Hystrene 80Hystrene 9718Hystrene 9718NFHystrene 9718NFFGHystrene S-97Hystrene T 70InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20Industrene 5016Industrene 5016KIndustrene 8718Industrene 9018Industrene RIsostearic acid EXKam 1000Kam 2000Kam 3000Kortacid 1895LMFA01010018LS-1388LS-2392LS-97707Loxiol G 20Lunac 30Lunac S 20Lunac S 30Lunac S 40Lunac S 50Lunac S 90Lunac S 90KCLunac S 98Lunac YANAA 173NCGC00091596-01NCGC00091596-02NCGC00164255-02NSC 25956Neo-Fat 18Neo-Fat 18-53Neo-Fat 18-54Neo-Fat 18-55Neo-Fat 18-59Neo-Fat 18-61Neo-Fat 18-SNonsoul SK 1Nonsoul SN 1 (*Sodium salt*)OctadecanoateOctadecanoic acid (9CI)Octadecanoic acid, ion(1-)OctadecansaeureOktadekansaeurePD 185Palmitic acid - stearic acid mixturePearl stearicPrifac 2918Prisorine 3501Prisorine 3502Prisorine 3508Pristerene 4900Pristerene 4963Pristerene 9429Pristerene 9559QIQXTHQIDYTFRH-UHFFFAOYSA-MRadiacid 0427S 300S 300 (fatty acid)S 30C S 30C (fatty acid)S4751_SIGMASA 200SNA-2000 (*Sodium salt*)ST023799STESTL280244Selosol 920Serfax MT 90StearateStearex BeadsStearic Acid CherryStearic acid (8CI)Stearic acid (JP15/NF)Stearic acid (TN)Stearic acid - palmitic acid mixtureStearic acid 50Stearic acid [USAN:JAN]Stearic acid ion(1-)saltStearic acid, ion(1-) (8CI)Stearic acid, pureStearinsaeureStearophanic acidSteric acidSunfat 18STegostearic 254Tegostearic 255Tegostearic 272Unimac 5680Unister NAA 180VLZ 200VanicolVis-PlusW303518_ALDRICHWLN: QV17WO 2WO 2 (fatty acid)acide octadecanoiqueacide steariquen-Octadecanoaten-Octadecanoic acidoctadecanoate (n-C18:0)octadecoic acidstearic acid, ion(1-)stearicacid2.清热药(64-64)7.止血药(25-26)heat-clearing medicinalhemostatic medicinal1.凉血止血药(8-9)3.清热解毒药(30-30)blood-cooling hemostatic medicinalheat-clearing and detoxicating medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
57-11-4
Hit
C0416
Herb
HBIN037749HBIN039020HBIN044730
Npass
NPC209970NPC209971NPC251059
Tcmid
20264231712367836441
Tcmsp
MOL000860
Sym Map
SMIT00079SMIT02647SMIT18412
Tcm Id
116361163711638116391365413655160341603516105161061711517116789
Pub Chem
1647085281
Tcmbank
TCMBANKIN041272TCMBANKIN050608TCMBANKIN053734TCMBANKIN061091
Etcm Ingredient
octadecanoic acid
Itcmdb Generated
ITX-INGREDIENT-18C780C97F13ITX-INGREDIENT-AB04D3FB0105ITX-INGREDIENT-C76ECF38DAFEITX-INGREDIENT-FC2CE685CF42
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
7
In Ch I
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
Mol Wt
284.4839999999999
Smiles
C(O[H])(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H
]C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=
OCCCCCCCCCCCCCCCCCC(=O)OO([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H
]
37 Flag
37
C Count
18
Mol Log P
6.332500000000007
N Count
0
O Count
2
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
QIQXTHQIDYTFRH-UHFFFAOYSA-N
Ob Score
17.82517.82542917.82542938
Suppress
01
Tcm Name
半边莲白茅根;鱼腥草;海金沙;乳香;连翘;柿蒂;香橼;沙菀子;车前子;白扁豆羌活
Tcm Name2
Citrus medica L;Bupleurum chinense;Plantago depressaQIANG HUO
Mol2 Path
/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/半边莲/Structure/stearic acid.mol2/TCM_database/2003_3d_all/7903.mol2/TCM_database/7.止血药(25-26)/1.凉血止血药(8-9)/白茅根/structure/stearic acid.mol2
Reference
2, 177, 260, 530, 541, 557, 660, 4307, 4721, 5508
Num Hdonors
1
Tcm Name En
BAI MAO GEN;Houttuynia cordata;Lygodium japonicum;RU XIANG;Forsythia suspense;SHI DI;XIANG YUAN;SHA WAN ZI;Radix Bupleuri;Plantain herb;Dolichos lablabIncised NotopterygiumLobelia chinensis
Level1 Name
2.清热药(64-64)7.止血药(25-26)
Level2 Name
1.凉血止血药(8-9)3.清热解毒药(30-30)
Num H Donors
1
Drug Likeness
0.336
Num Hacceptors
1
Level1 Name En
heat-clearing medicinalhemostatic medicinal
Level2 Name En
blood-cooling hemostatic medicinalheat-clearing and detoxicating medicinal
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)O
Molecule Weight
284.48|284.54
Num H Acceptors
2
Canonical Smiles
CCCCCCCCCCCCCCCCCC(=O)O
Herb Alias Names
stearic acid57-11-4n-Octadecanoic acidStearophanic acidCetylacetic acid1-Heptadecanecarboxylic acidPearl stearicStearex BeadsOctadecansaeure
Molecular Weight
284.270
Molecular Volume
228
Molecular Weight
284284.5 g/mol
Molecule Formula
C18H36O2
Molecular Formula
C18H36O2
Molecular Formula
C18H36O2CH3(CH2)16COOH
Molecular Formula
C18H36O2
Num Rotatable Bonds
16
Link Ingredient Id
79.0
Num Rotatable Bonds
16
Molecular Polar Surface Area
37
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.336