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
- 27108
- Core Entity Id
- 33317
- Source Entity Count
- 1
- Preferred Name
- Naphtha
- Name En
- Pubchem Id
- 123039
- Smiles Canonical
- C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC5=CC6=CC=CC=C6C=C5C=C43
- Molecular Formula
- C26H16
- Molecular Weight
- 328.4140
- Inchikey
- AFVMDRFUJONSCM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C26H16/c1-2-7-19-14-22-16-26-20(15-21(22)13-18(19)6-1)10-12-24-23-8-4-3-5-17(23)9-11-25(24)26/h1-16H
- Isomeric Smiles
- C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC5=CC6=CC=CC=C6C=C5C=C43
- Cas Id
- Ob Score
- Mol Logp
- 7.4526
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.2000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Naphtha
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Naphtha
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
naphtha
Role
preferred
Source
TCMBank
Preferred
Yes
Name
220-82-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
220-82-6
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID0098922
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID0098922
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00176431
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00176431
Role
alias
Source
HERB_v2
Preferred
No
Name
Dibenzo(c,k)tetraphene
Role
alias
Source
HERB_v2
Preferred
No
Name
Dibenzo(c,k)tetraphene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Naphtha(2,1-a)tetracene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Naphtha(2,1-a)tetracene
Role
alias
Source
HERB_v2
Preferred
No
Name
Naphtho(2,1-a)naphthacene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Naphtho[2,1-a]naphthacene
Role
alias
Source
HERB_v2
Preferred
No
Name
naphtho[2,1-a]tetracene
Role
alias
Source
HERB_v2
Preferred
No
Name
naphtho[2,1-a]tetracene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
220-82-6DTXCID0098922DTXSID00176431Dibenzo(c,k)tetrapheneNaphtha(2,1-a)tetraceneNaphtho(2,1-a)naphthaceneNaphtho[2,1-a]naphthacenenaphtho[2,1-a]tetracene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036306
Tcmid
32576
Pub Chem
123039
Tcmbank
TCMBANKIN028469
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H16/c1-2-7-19-14-22-16-26-20(15-21(22)13-18(19)6-1)10-12-24-23-8-4-3-5-17(23)9-11-25(24)26/h1-16H
Mol Wt
328.414
Smiles
C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC5=CC6=CC=CC=C6C=C5C=C43
Mol Log P
7.452600000000004
In Ch Ikey
AFVMDRFUJONSCM-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.2
Num Hacceptors
0
Isomeric Smiles
C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC5=CC6=CC=CC=C6C=C5C=C43
Canonical Smiles
C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC5=CC6=CC=CC=C6C=C5C=C43
Herb Alias Names
Naphtho[2,1-a]naphthaceneNaphtho(2,1-a)naphthaceneDibenzo(c,k)tetrapheneNaphtha(2,1-a)tetracene220-82-6DTXSID00176431naphtho[2,1-a]tetraceneDTXCID0098922
Molecular Formula
C26H16
Molecular Formula
C26H16
Num Rotatable Bonds
0