Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24673
- Core Entity Id
- 30618
- Source Entity Count
- 1
- Preferred Name
- Linarionoside b
- Name En
- Pubchem Id
- 11132508
- Smiles Canonical
- CC1=C(C(CC(C1)O)(C)C)CCC(C)OC2C(C(C(C(O2)CO)O)O)O
- Molecular Formula
- C19H34O7
- Molecular Weight
- 374.4740
- Inchikey
- QOLJILMTPKQQQA-DGJKUZGGSA-N
- Inchi
- InChI=1S/C19H34O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12-,14-,15-,16+,17-,18-/m1/s1
- Isomeric Smiles
- CC1=C(C(C[C@@H](C1)O)(C)C)CC[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.4690
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Linarionoside B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Linarionoside b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Linarionoside b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
海滨柳穿鱼
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HAI BIN LIU CHUAN YU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Toadflax
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
海滨柳穿鱼HAI BIN LIU CHUAN YUJapanese Toadflax
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033289
Npass
NPC33333
Tcmid
12851
Pub Chem
11132508
Tcmbank
TCMBANKIN050337
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H34O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h11-12,14-18,20-24H,5-9H2,1-4H3/t11-,12-,14-,15-,16+,17-,18-/m1/s1
Mol Wt
374.474
Mol Log P
0.4690000000000001
In Ch Ikey
QOLJILMTPKQQQA-DGJKUZGGSA-N
Tcm Name
海滨柳穿鱼
Tcm Name2
HAI BIN LIU CHUAN YU
Mol2 Path
/TCM_database/2007_3d_all/12857.mol2
Reference
652
Num Hdonors
5
Tcm Name En
Japanese Toadflax
Drug Likeness
0.429
Num Hacceptors
7
Isomeric Smiles
CC1=C(C(C[C@@H](C1)O)(C)C)CC[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Canonical Smiles
CC1=C(C(CC(C1)O)(C)C)CCC(C)OC2C(C(C(C(O2)CO)O)O)O
Molecular Weight
374.5 g/mol
Molecular Formula
C19H34O7
Num Rotatable Bonds
6