Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19477
- Core Entity Id
- 24830
- Source Entity Count
- 1
- Preferred Name
- Fulvoplumierin
- Name En
- Pubchem Id
- 5281541
- Smiles Canonical
- CC=CC=C1C=CC2=C1C(=O)OC=C2C(=O)OC
- Molecular Formula
- C14H12O4
- Molecular Weight
- 244.2460
- Inchikey
- RFUJEBHESHKXKW-PRKJJMSOSA-N
- Inchi
- InChI=1S/C14H12O4/c1-3-4-5-9-6-7-10-11(13(15)17-2)8-18-14(16)12(9)10/h3-8H,1-2H3/b4-3+,9-5+
- Isomeric Smiles
- C/C=C/C=C/1\C=CC2=C1C(=O)OC=C2C(=O)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.4127
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fulvoplumierin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Fulvoplumierin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
fulvoplumierin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
20867-01-0
Role
alias
Source
HERB_v2
Preferred
No
Name
20867-01-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
88W5O194BU
Role
alias
Source
HERB_v2
Preferred
No
Name
88W5O194BU
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:5188
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:5188
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC609064
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC609064
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC661970
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC661970
Role
alias
Source
itcmdb_public
Preferred
No
Name
Plumiera rubra
Role
alias
Source
HERB_v2
Preferred
No
Name
Plumiera rubra
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl (7E)-7-[(E)-but-2-enylidene]-1-oxo-cyclopenta[c]pyran-4-carboxylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl (7E)-7-[(E)-but-2-enylidene]-1-oxo-cyclopenta[c]pyran-4-carboxylate
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
20867-01-088W5O194BUCHEBI:5188NSC609064NSC661970Plumiera rubramethyl (7E)-7-[(E)-but-2-enylidene]-1-oxo-cyclopenta[c]pyran-4-carboxylate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026823
Npass
NPC309408
Tcm Id
10606181804289
Pub Chem
5281541
Tcmbank
TCMBANKIN009399
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H12O4/c1-3-4-5-9-6-7-10-11(13(15)17-2)8-18-14(16)12(9)10/h3-8H,1-2H3/b4-3+,9-5+
Mol Wt
244.246
Smiles
CC=CC=C1C=CC2=C1C(=O)OC=C2C(=O)OC
Mol Log P
2.412700000000001
In Ch Ikey
RFUJEBHESHKXKW-PRKJJMSOSA-N
Num Hdonors
0
Drug Likeness
0.749
Num Hacceptors
4
Isomeric Smiles
C/C=C/C=C/1\C=CC2=C1C(=O)OC=C2C(=O)OC
Canonical Smiles
CC=CC=C1C=CC2=C1C(=O)OC=C2C(=O)OC
Herb Alias Names
20867-01-0Plumiera rubraCHEBI:5188NSC609064NSC66197088W5O194BUNSC-609064NSC-661970methyl (7E)-7-[(E)-but-2-enylidene]-1-oxo-cyclopenta[c]pyran-4-carboxylate
Molecular Weight
244.24 g/mol
Molecular Formula
C14H12O4
Molecular Formula
C14H12O4
Num Rotatable Bonds
2