Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 11Ingredient: 1Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38984
- Core Entity Id
- 69489
- Source Entity Count
- 1
- Preferred Name
- 16-triacontanol
- Name En
- Pubchem Id
- 5322011
- Smiles Canonical
- CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)O
- Molecular Formula
- C30H62O
- Molecular Weight
- 438.8250
- Inchikey
- HJVOENAQNMQNCN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30(31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31H,3-29H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)O
- Cas Id
- Ob Score
- 11.1920
- Mol Logp
- 10.9198
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 27
- Drug Likeness
- 0.1260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
16-Triacontanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
16-Triacontanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
16-Triacontanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
16-triacontanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
16-triacontanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
15-Triacontanol
Role
alias
Source
TCMBank
Preferred
No
Name
16-triacontanol
Role
alias
Source
TCMBank
Preferred
No
Name
31849-26-0
Role
alias
Source
TCMBank
Preferred
No
Name
31849-26-0
Role
alias
Source
HERB_v2
Preferred
No
Name
31849-26-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1NT12W
Role
alias
Source
TCMBank
Preferred
No
Name
CTK1B2627
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID40415790
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40415790
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID40415790
Role
alias
Source
itcmdb_public
Preferred
No
Name
HJVOENAQNMQNCN-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
HJVOENAQNMQNCN-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL10436445
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL10436445
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL10436445
Role
alias
Source
itcmdb_public
Preferred
No
Name
triacontan-15-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
triacontan-15-ol
Role
alias
Source
TCMBank
Preferred
No
Name
triacontan-15-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
龙眼叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LONG YAN YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Longan Leaf
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
15-Triacontanol31849-26-0AC1NT12WCTK1B2627DTXSID40415790HJVOENAQNMQNCN-UHFFFAOYSA-NSCHEMBL10436445triacontan-15-ol龙眼叶LONG YAN YELongan Leaf
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001964
Npass
NPC180102
Tcmid
21524
Tcmsp
MOL008866
Sym Map
SMIT10080SMIT17972
Tcm Id
21524
Pub Chem
5322011
Tcmbank
TCMBANKIN021291TCMBANKIN050831
Etcm Ingredient
16-Triacontanol
Itcmdb Generated
ITX-INGREDIENT-74E7835E29F1
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30(31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31H,3-29H2,1-2H3
Mol Wt
438.8250000000004
Smiles
CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)O
Mol Log P
10.91979999999999
Version
v1,v2
In Ch Ikey
HJVOENAQNMQNCN-UHFFFAOYSA-N
Ob Score
11.19211.1923169411.192317
Suppress
1
Tcm Name
龙眼叶
Tcm Name2
LONG YAN YE
Mol2 Path
/TCM_database/2003_3d_all/8499.mol2
Reference
6
Num Hdonors
1
Tcm Name En
Longan Leaf
Drug Likeness
0.126
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)O
Molecule Weight
438.92
Canonical Smiles
CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)O
Herb Alias Names
triacontan-15-ol31849-26-0SCHEMBL10436445DTXSID40415790HJVOENAQNMQNCN-UHFFFAOYSA-N
Molecular Weight
438.480
Molecular Weight
438.8 g/mol
Molecular Formula
C30H62O
Molecular Formula
C30H62O
Molecular Formula
C30H62O
Num Rotatable Bonds
27
Link Ingredient Id
10080.0
Fda Maximum Daily Dose (Fdamdd)
0.046
Quantitative Estimate Of Drug Likeness（Qed）
0.126