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
- 25701
- Core Entity Id
- 31763
- Source Entity Count
- 1
- Preferred Name
- Masutakicacid a
- Name En
- Pubchem Id
- 10584182
- Smiles Canonical
- CCCCCC#CC(C(C(=O)O)O)O
- Molecular Formula
- C10H16O4
- Molecular Weight
- 200.2340
- Inchikey
- VSKXYKGCLVJSEW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H16O4/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-9,11-12H,2-5H2,1H3,(H,13,14)
- Isomeric Smiles
- CCCCCC#CC(C(C(=O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.3765
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Masutakicacid a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Masutakicacid a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
masutakicacid a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3-dihydroxydec-4-ynoic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-dihydroxydec-4-ynoic Acid
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:172079
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:172079
Role
alias
Source
HERB_v2
Preferred
No
Name
Matsutakic acid A
Role
alias
Source
HERB_v2
Preferred
No
Name
Matsutakic acid A
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,3-dihydroxydec-4-ynoic AcidCHEBI:172079Matsutakic acid A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034541
Npass
NPC36520
Tcmid
13586
Pub Chem
10584182
Tcmbank
TCMBANKIN003786
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H16O4/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-9,11-12H,2-5H2,1H3,(H,13,14)
Mol Wt
200.234
Smiles
CCCCCC#CC(C(C(=O)O)O)O
Mol Log P
0.3765000000000001
In Ch Ikey
VSKXYKGCLVJSEW-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.443
Num Hacceptors
3
Isomeric Smiles
CCCCCC#CC(C(C(=O)O)O)O
Canonical Smiles
CCCCCC#CC(C(C(=O)O)O)O
Herb Alias Names
Matsutakic acid A2,3-dihydroxydec-4-ynoic AcidCHEBI:172079
Molecular Weight
200.23 g/mol
Molecular Formula
C10H16O4
Molecular Formula
C10H16O4
Num Rotatable Bonds
5