Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 4Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5599
- Core Entity Id
- 9413
- Source Entity Count
- 1
- Preferred Name
- 4,5,4',5'-tetrahydroxy-1:1'-binaphthyl
- Name En
- Pubchem Id
- 49840109
- Smiles Canonical
- CC1=C(C2=C(C(=O)C(=O)C=C2C(=C1C3=C(C4=CC(=O)C(=O)C(=C4C(=C3C)O)C(=O)CC5=CC=CC=C5)O)O)C(=O)CC6=CC=CC=C6)O
- Molecular Formula
- C38H26O10
- Molecular Weight
- 642.6160
- Inchikey
- NCSYNMWTCMNINL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C38H26O10/c1-17-27(35(45)21-15-25(41)37(47)31(29(21)33(17)43)23(39)13-19-9-5-3-6-10-19)28-18(2)34(44)30-22(36(28)46)16-26(42)38(48)32(30)24(40)14-20-11-7-4-8-12-20/h3-12,15-16,43-46H,13-14H2,1-2H3
- Isomeric Smiles
- CC1=C(C2=C(C(=O)C(=O)C=C2C(=C1C3=C(C4=CC(=O)C(=O)C(=C4C(=C3C)O)C(=O)CC5=CC=CC=C5)O)O)C(=O)CC6=CC=CC=C6)O
- Cas Id
- Ob Score
- Mol Logp
- 0.5824
- Num H Donors
- 4
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4,5,4',5'-Tetrahydroxy-1:1'-binaphthyl
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4,5,4',5'-tetrahydroxy-1:1'-binaphthyl
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4,5,4',5'-tetrahydroxy-1:1'-binaphthyl
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
暗棕碳团菌
Role
TCM_name
Source
TCMBank
Preferred
No
Name
AN ZONG TAN TUAN JUN
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
暗棕碳团菌AN ZONG TAN TUAN JUN
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009973
Tcmid
21067
Pub Chem
49840109
Tcmbank
TCMBANKIN047755
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C38H26O10/c1-17-27(35(45)21-15-25(41)37(47)31(29(21)33(17)43)23(39)13-19-9-5-3-6-10-19)28-18(2)34(44)30-22(36(28)46)16-26(42)38(48)32(30)24(40)14-20-11-7-4-8-12-20/h3-12,15-16,43-46H,13-14H2,1-2H3
Mol Wt
642.6160000000003
Mol Log P
0.582439999999999
In Ch Ikey
NCSYNMWTCMNINL-UHFFFAOYSA-N
Tcm Name
暗棕碳团菌
Tcm Name2
AN ZONG TAN TUAN JUN
Mol2 Path
/TCM_database/2007_3d_all/21083.mol2
Reference
3771
Num Hdonors
4
Drug Likeness
0.164
Num Hacceptors
10
Isomeric Smiles
CC1=C(C2=C(C(=O)C(=O)C=C2C(=C1C3=C(C4=CC(=O)C(=O)C(=C4C(=C3C)O)C(=O)CC5=CC=CC=C5)O)O)C(=O)CC6=CC=CC=C6)O
Canonical Smiles
CC1=C(C2=C(C(=O)C(=O)C=C2C(=C1C3=C(C4=CC(=O)C(=O)C(=C4C(=C3C)O)C(=O)CC5=CC=CC=C5)O)O)C(=O)CC6=CC=CC=C6)O
Molecular Formula
C38H26O10
Num Rotatable Bonds
7