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
- 12170
- Core Entity Id
- 16695
- Source Entity Count
- 1
- Preferred Name
- Benzofulvene
- Name En
- Pubchem Id
- 75581
- Smiles Canonical
- C=C1C=CC2=CC=CC=C12
- Molecular Formula
- C10H8
- Molecular Weight
- 128.1740
- Inchikey
- HVVZVBWIBBTXAJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H8/c1-8-6-7-9-4-2-3-5-10(8)9/h2-7H,1H2
- Isomeric Smiles
- C=C1C=CC2=CC=CC=C12
- Cas Id
- Ob Score
- Mol Logp
- 2.7266
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Benzofulvene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Benzofulvene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Benzofulvene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
benzofulvene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-Methylene-1H-indene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Methylene-1H-indene
Role
alias
Source
HERB_v2
Preferred
No
Name
1-methylidene-1H-indene
Role
alias
Source
HERB_v2
Preferred
No
Name
1-methylidene-1H-indene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-methylideneindene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-methylideneindene
Role
alias
Source
HERB_v2
Preferred
No
Name
111307-68-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
111307-68-7
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Indene, 1-methylene-
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Indene, 1-methylene-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2471-84-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
2471-84-3
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20179449
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20179449
Role
alias
Source
HERB_v2
Preferred
No
Name
HVVZVBWIBBTXAJ-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
HVVZVBWIBBTXAJ-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00010762
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00010762
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Methylene-1H-indene1-methylidene-1H-indene1-methylideneindene111307-68-71H-Indene, 1-methylene-2471-84-3DTXSID20179449HVVZVBWIBBTXAJ-UHFFFAOYSA-NNS00010762
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017782
Npass
NPC5642
Tcmid
39184
Pub Chem
75581
Tcmbank
TCMBANKIN025664
Etcm Ingredient
benzofulvene
Itcmdb Generated
ITX-INGREDIENT-20DF53D555E1
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H8/c1-8-6-7-9-4-2-3-5-10(8)9/h2-7H,1H2
Mol Wt
128.174
Smiles
C=C1C=CC2=CC=CC=C12
Mol Log P
2.726600000000001
In Ch Ikey
HVVZVBWIBBTXAJ-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.504
Num Hacceptors
0
Isomeric Smiles
C=C1C=CC2=CC=CC=C12
Canonical Smiles
C=C1C=CC2=CC=CC=C12
Herb Alias Names
1H-Indene, 1-methylene-1-Methylene-1H-indene1-methylideneindene2471-84-31-methylidene-1H-indeneDTXSID20179449HVVZVBWIBBTXAJ-UHFFFAOYSA-N111307-68-7NS00010762
Molecular Weight
128.060
Molecular Weight
128.17 g/mol
Molecular Formula
C10H8
Molecular Formula
C10H8
Molecular Formula
C10H8
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.380
Quantitative Estimate Of Drug Likeness（Qed）
0.504