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
- 17384
- Core Entity Id
- 22491
- Source Entity Count
- 1
- Preferred Name
- Diospongin c
- Name En
- Pubchem Id
- 25072202
- Smiles Canonical
- C1=CC=C(C=C1)C(CC(CC(CC(C2=CC=CC=C2)O)O)O)O
- Molecular Formula
- C19H24O4
- Molecular Weight
- 316.3970
- Inchikey
- LZKJEHZOSHVRBN-RDGPPVDQSA-N
- Inchi
- InChI=1S/C19H24O4/c20-16(12-18(22)14-7-3-1-4-8-14)11-17(21)13-19(23)15-9-5-2-6-10-15/h1-10,16-23H,11-13H2/t16-,17+,18-,19-/m0/s1
- Isomeric Smiles
- C1=CC=C(C=C1)[C@H](C[C@@H](C[C@@H](C[C@@H](C2=CC=CC=C2)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3457
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.6020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Diospongin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Diospongin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Diospongin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
海锦萆薢
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HAI JIN BI XIE
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
海锦萆薢HAI JIN BI XIE
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024197
Tcmid
6457
Pub Chem
25072202
Tcmbank
TCMBANKIN043506
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H24O4/c20-16(12-18(22)14-7-3-1-4-8-14)11-17(21)13-19(23)15-9-5-2-6-10-15/h1-10,16-23H,11-13H2/t16-,17+,18-,19-/m0/s1
Mol Wt
316.397
Mol Log P
2.345700000000003
In Ch Ikey
LZKJEHZOSHVRBN-RDGPPVDQSA-N
Tcm Name
海锦萆薢
Tcm Name2
HAI JIN BI XIE
Mol2 Path
/TCM_database/2007_3d_all/06458.mol2
Reference
4921
Num Hdonors
4
Drug Likeness
0.602
Num Hacceptors
4
Isomeric Smiles
C1=CC=C(C=C1)[C@H](C[C@@H](C[C@@H](C[C@@H](C2=CC=CC=C2)O)O)O)O
Canonical Smiles
C1=CC=C(C=C1)C(CC(CC(CC(C2=CC=CC=C2)O)O)O)O
Molecular Formula
C19H24O4
Num Rotatable Bonds
8