Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14327
- Core Entity Id
- 19092
- Source Entity Count
- 1
- Preferred Name
- Chrysol
- Name En
- Pubchem Id
- 9171
- Smiles Canonical
- C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
- Molecular Formula
- C18H12
- Molecular Weight
- 228.2940
- Inchikey
- WDECIBYCCFPHNR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
- Isomeric Smiles
- C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
- Cas Id
- Ob Score
- Mol Logp
- 5.1462
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3650
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Chrysol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Chrysol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Chrysol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Chrysol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
chrysol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,2,5,6-Dibenzonaphthalene
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2,5,6-Dibenzonaphthalene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Benzophenanthrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Benzophenanthrene
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-Benzphenanthrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Benzphenanthrene
Role
alias
Source
HERB_v2
Preferred
No
Name
218-01-9
Role
alias
Source
HERB_v2
Preferred
No
Name
218-01-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benz(a)phenanthrene
Role
alias
Source
HERB_v2
Preferred
No
Name
Benz[a]phenanthrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzo[a]phenanthrene
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzo[a]phenanthrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHRYSENE
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHRYSENE
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysen
Role
alias
Source
HERB_v2
Preferred
No
Name
Chrysen
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,2,5,6-Dibenzonaphthalene1,2-Benzophenanthrene1,2-Benzphenanthrene218-01-9Benz(a)phenanthreneBenz[a]phenanthreneBenzo[a]phenanthreneCHRYSENEChrysen
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020471
Npass
NPC66270
Tcmid
24036
Sym Map
SMIT01987
Tcm Id
5725
Pub Chem
9171
Tcmbank
TCMBANKIN019601
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
Mol Wt
228.294
Smiles
C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
Mol Log P
5.146200000000003
Version
v1,v2
In Ch Ikey
WDECIBYCCFPHNR-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.365
Num Hacceptors
0
Isomeric Smiles
C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
Canonical Smiles
C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
Herb Alias Names
CHRYSENE218-01-9Benzo[a]phenanthrene1,2-Benzophenanthrene1,2-Benzphenanthrene1,2,5,6-DibenzonaphthaleneBenz(a)phenanthreneBenzo(a)phenanthreneChrysenBenz[a]phenanthrene
Molecular Formula
C18H12
Num Rotatable Bonds
0