Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 2Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15560
- Core Entity Id
- 20463
- Source Entity Count
- 1
- Preferred Name
- Cumulene
- Name En
- Pubchem Id
- 6324998
- Smiles Canonical
- CCCC=C=C=C1C=CC(=O)O1
- Molecular Formula
- C10H10O2
- Molecular Weight
- 162.1880
- Inchikey
- KCADUUDDTBWILK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H10O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h4,7-8H,2-3H2,1H3
- Isomeric Smiles
- CCCC=C=C=C1C=CC(=O)O1
- Cas Id
- Ob Score
- Mol Logp
- 2.0936
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4590
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cumulene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cumulene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cumulene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cumulene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cumulene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-hexa-1,2-dienylidenefuran-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
AC1O44M7
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5-hexa-1,2-dienylidenefuran-2-oneAC1O44M7
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021912
Npass
NPC64618
Tcmid
4359
Sym Map
SMIT14819
Pub Chem
6324998
Tcmbank
TCMBANKIN001293
Etcm Ingredient
Cumulene
Itcmdb Generated
ITX-INGREDIENT-91A6ABD209D5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H10O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h4,7-8H,2-3H2,1H3
Mol Wt
162.188
Smiles
CCCC=C=C=C1C=CC(=O)O1
Mol Log P
2.0936
Version
v1,v2
In Ch Ikey
KCADUUDDTBWILK-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.459
Num Hacceptors
2
Isomeric Smiles
CCCC=C=C=C1C=CC(=O)O1
Canonical Smiles
CCCC=C=C=C1C=CC(=O)O1
Molecular Weight
324.090
Molecule Formula
C10H10O2
Molecular Formula
C26H12
Molecular Formula
C10H10O2
Molecular Formula
C10H10O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.908
Quantitative Estimate Of Drug Likeness（Qed）
0.206