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
- 3719
- Core Entity Id
- 7321
- Source Entity Count
- 1
- Preferred Name
- 3,8'-biplumbagin
- Name En
- Pubchem Id
- 12232585
- Smiles Canonical
- CC1=CC(=O)C2=C(C=CC(=C2C1=O)C3=C(C(=O)C4=C(C3=O)C(=CC=C4)O)C)O
- Molecular Formula
- C22H14O6
- Molecular Weight
- 374.3480
- Inchikey
- CKYANOPNBSDDHH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H14O6/c1-9-8-15(25)19-14(24)7-6-11(18(19)20(9)26)16-10(2)21(27)12-4-3-5-13(23)17(12)22(16)28/h3-8,23-24H,1-2H3
- Isomeric Smiles
- CC1=CC(=O)C2=C(C=CC(=C2C1=O)C3=C(C(=O)C4=C(C3=O)C(=CC=C4)O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 3.2758
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7930
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,8'-Biplumbagin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,8'-Biplumbagin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,8'-biplumbagin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,8'-biplumbagin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
海柿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HAI SHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Maritime Persimmon*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
海柿HAI SHIMaritime Persimmon*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007821
Npass
NPC101870
Tcmid
2403
Pub Chem
12232585
Tcmbank
TCMBANKIN050349
Etcm Ingredient
3,8'-Biplumbagin
Itcmdb Generated
ITX-INGREDIENT-F089F705CA38
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H14O6/c1-9-8-15(25)19-14(24)7-6-11(18(19)20(9)26)16-10(2)21(27)12-4-3-5-13(23)17(12)22(16)28/h3-8,23-24H,1-2H3
Mol Wt
374.3480000000001
Mol Log P
3.275800000000002
In Ch Ikey
CKYANOPNBSDDHH-UHFFFAOYSA-N
Tcm Name
海柿
Tcm Name2
HAI SHI
Mol2 Path
/TCM_database/2007_3d_all/02403.mol2
Reference
4185
Num Hdonors
2
Tcm Name En
Maritime Persimmon*
Drug Likeness
0.793
Num Hacceptors
6
Isomeric Smiles
CC1=CC(=O)C2=C(C=CC(=C2C1=O)C3=C(C(=O)C4=C(C3=O)C(=CC=C4)O)C)O
Canonical Smiles
CC1=CC(=O)C2=C(C=CC(=C2C1=O)C3=C(C(=O)C4=C(C3=O)C(=CC=C4)O)C)O
Molecular Weight
374.080
Molecular Formula
C22H14O6
Molecular Formula
C22H14O6
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.891
Quantitative Estimate Of Drug Likeness（Qed）
0.353