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
- 12735
- Core Entity Id
- 17326
- Source Entity Count
- 1
- Preferred Name
- Biphenanthrene
- Name En
- Pubchem Id
- 21709721
- Smiles Canonical
- C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C4=CC=CC5=C4C=CC6=CC=CC=C65
- Molecular Formula
- C28H18
- Molecular Weight
- 354.4520
- Inchikey
- VQECOUFHPVSSCD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C28H18/c1-3-9-21-19(7-1)15-17-27-23(21)11-5-13-25(27)26-14-6-12-24-22-10-4-2-8-20(22)16-18-28(24)26/h1-18H
- Isomeric Smiles
- C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C4=CC=CC5=C4C=CC6=CC=CC=C65
- Cas Id
- Ob Score
- Mol Logp
- 7.9664
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.2630
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Biphenanthrene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Biphenanthrene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Biphenanthrene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
鞘石豆兰
Role
TCM_name
Source
TCMBank
Preferred
No
Name
QIAO SHI DOU LAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Vaginate Stonebean-orchis*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1-phenanthren-1-ylphenanthrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-phenanthren-1-ylphenanthrene
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
鞘石豆兰QIAO SHI DOU LANVaginate Stonebean-orchis*1-phenanthren-1-ylphenanthrene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018537
Tcmid
2398
Pub Chem
21709721
Tcmbank
TCMBANKIN048768
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H18/c1-3-9-21-19(7-1)15-17-27-23(21)11-5-13-25(27)26-14-6-12-24-22-10-4-2-8-20(22)16-18-28(24)26/h1-18H
Mol Wt
354.4520000000001
Mol Log P
7.966400000000005
In Ch Ikey
VQECOUFHPVSSCD-UHFFFAOYSA-N
Tcm Name
鞘石豆兰
Tcm Name2
QIAO SHI DOU LAN
Mol2 Path
/TCM_database/2007_3d_all/02398.mol2
Reference
4768
Num Hdonors
0
Tcm Name En
Vaginate Stonebean-orchis*
Drug Likeness
0.263
Num Hacceptors
0
Isomeric Smiles
C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C4=CC=CC5=C4C=CC6=CC=CC=C65
Canonical Smiles
C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C4=CC=CC5=C4C=CC6=CC=CC=C65
Herb Alias Names
1-phenanthren-1-ylphenanthrene
Molecular Weight
354.4 g/mol
Molecular Formula
C28H18
Num Rotatable Bonds
1