Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21241
- Core Entity Id
- 26796
- Source Entity Count
- 1
- Preferred Name
- Heptacosane
- Name En
- Pubchem Id
- 11636
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCC
- Molecular Formula
- C27H56
- Molecular Weight
- 380.7450
- Inchikey
- BJQWYEJQWHSSCJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCC
- Cas Id
- 593-49-7
- Ob Score
- 8.1807
- Mol Logp
- 10.7787
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 24
- Drug Likeness
- 0.1460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
HEPTACOSANE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Heptacosane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Heptacosane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Heptacosane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
593-49-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
593-49-7
Role
alias
Source
HERB_v2
Preferred
No
Name
AI3-36283
Role
alias
Source
HERB_v2
Preferred
No
Name
AI3-36283
Role
alias
Source
itcmdb_public
Preferred
No
Name
CH3-[CH2]25-CH3
Role
alias
Source
HERB_v2
Preferred
No
Name
CH3-[CH2]25-CH3
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:32941
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:32941
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID6058637
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID6058637
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 209-792-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 209-792-4
Role
alias
Source
HERB_v2
Preferred
No
Name
HSDB 8357
Role
alias
Source
HERB_v2
Preferred
No
Name
HSDB 8357
Role
alias
Source
itcmdb_public
Preferred
No
Name
VP371W2GJS
Role
alias
Source
HERB_v2
Preferred
No
Name
VP371W2GJS
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Heptacosane
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Heptacosane
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Heptacosane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
双边栝楼;剑叶龙血树
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHUANG BIAN GUA LOU; JIAN YE LONG XUE SHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Rosthorn Snakegourd;Swordleaf Dracaena
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
593-49-7AI3-36283CH3-[CH2]25-CH3CHEBI:32941DTXSID6058637EINECS 209-792-4HSDB 8357VP371W2GJSn-Heptacosane双边栝楼;剑叶龙血树SHUANG BIAN GUA LOU; JIAN YE LONG XUE SHURosthorn Snakegourd;Swordleaf Dracaena
Cross References
Trusted external identifiers retained for this final record.
Cas
593-49-7
Herb
HBIN029061HBIN036866HBIN036867
Npass
NPC153958
Tcmid
25033347499367
Tcmsp
MOL002229
Sym Map
SMIT01442SMIT04517SMIT18756
Tcm Id
2328
Pub Chem
11636
Tcmbank
TCMBANKIN061136TCMBANKIN051100
Etcm Ingredient
HEPTACOSANE
Itcmdb Generated
ITX-INGREDIENT-CB67F2266CBEITX-INGREDIENT-43A9C73458D5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
Mol Wt
380.7450000000002
Cas Id
593-49-7
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCC
Mol Log P
10.77869999999999
Version
v1,v2
In Ch Ikey
BJQWYEJQWHSSCJ-UHFFFAOYSA-N
Ob Score
8.1807100478.181
Suppress
1
Tcm Name
双边栝楼;剑叶龙血树
Tcm Name2
SHUANG BIAN GUA LOU; JIAN YE LONG XUE SHU
Mol2 Path
/TCM_database/2003_3d_all/3773.mol2
Reference
2, 616, 660, 1521
Num Hdonors
0
Tcm Name En
Rosthorn Snakegourd;Swordleaf Dracaena
Drug Likeness
0.146
Num Hacceptors
0
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCC
Molecule Weight
380.83
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCC
Herb Alias Names
593-49-7n-HeptacosaneEINECS 209-792-4VP371W2GJSAI3-36283DTXSID6058637CHEBI:32941HSDB 8357CH3-[CH2]25-CH3
Molecular Weight
380.440
Molecular Weight
380.73
Molecule Formula
C27H56
Molecular Formula
C27H56
Molecular Formula
C27H56
Molecular Formula
C27H56
Num Rotatable Bonds
24
Link Ingredient Id
4517.0
Fda Maximum Daily Dose (Fdamdd)
0.045
Quantitative Estimate Of Drug Likeness（Qed）
0.146