Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37281
- Core Entity Id
- 44645
- Source Entity Count
- 1
- Preferred Name
- (z)-octadec-12-ene-8,10-diynoicacid
- Name En
- (Z)-Octadec-12-ene-8,10-diynoic acid
- Pubchem Id
- 10355991
- Smiles Canonical
- CCCCCC=CC#CC#CCCCCCCC(=O)O
- Molecular Formula
- C18H26O2
- Molecular Weight
- 274.4040
- Inchikey
- RJGPWUHEMVYSDA-SREVYHEPSA-N
- Inchi
- InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7H,2-5,12-17H2,1H3,(H,19,20)/b7-6-
- Isomeric Smiles
- CCCCC/C=C\C#CC#CCCCCCCC(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 4.5549
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.4680
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(z)-octadec-12-ene-8,10-diynoicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(z)-octadec-12-ene-8,10-diynoicacid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(z)-octadec-12-ene-8,10-diynoicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN049049
Npass
NPC244690
Tcmid
15946
Pub Chem
10355991
Tcmbank
TCMBANKIN004049
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7H,2-5,12-17H2,1H3,(H,19,20)/b7-6-
Mol Wt
274.4039999999999
Smiles
CCCCCC=CC#CC#CCCCCCCC(=O)O
Mol Log P
4.554900000000004
In Ch Ikey
RJGPWUHEMVYSDA-SREVYHEPSA-N
Num Hdonors
1
Drug Likeness
0.468
Num Hacceptors
1
Isomeric Smiles
CCCCC/C=C\C#CC#CCCCCCCC(=O)O
Canonical Smiles
CCCCCC=CC#CC#CCCCCCCC(=O)O
Molecular Formula
C18H26O2
Molecular Formula
C18H26O2
Num Rotatable Bonds
10