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
- 36649
- Core Entity Id
- 43931
- Source Entity Count
- 1
- Preferred Name
- Walsurol
- Name En
- Pubchem Id
- 5315283
- Smiles Canonical
- CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCC3C(=C)CCC(C3(C)C)O)O
- Molecular Formula
- C27H40O3
- Molecular Weight
- 412.6140
- Inchikey
- PEGSMXNXCHMFEB-QGMBQPNBSA-N
- Inchi
- InChI=1S/C27H40O3/c1-18(9-11-23-19(2)10-12-24(29)26(23,4)5)8-7-14-27(6)15-13-21-17-22(28)16-20(3)25(21)30-27/h8,16-17,23-24,28-29H,2,7,9-15H2,1,3-6H3/b18-8+
- Isomeric Smiles
- CC1=CC(=CC2=C1OC(CC2)(C)CC/C=C(\C)/CCC3C(=C)CCC(C3(C)C)O)O
- Cas Id
- Ob Score
- Mol Logp
- 6.6443
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.5150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Walsurol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Walsurol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Walsurol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
云南割舌树
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUN NAN GE SHE SHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Yunnan Cuttongue tree
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
云南割舌树YUN NAN GE SHE SHUYunnan Cuttongue tree
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048193
Npass
NPC241342
Tcmid
22615
Pub Chem
5315283
Tcmbank
TCMBANKIN045639
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C27H40O3/c1-18(9-11-23-19(2)10-12-24(29)26(23,4)5)8-7-14-27(6)15-13-21-17-22(28)16-20(3)25(21)30-27/h8,16-17,23-24,28-29H,2,7,9-15H2,1,3-6H3/b18-8+
Mol Wt
412.6140000000001
Mol Log P
6.644320000000008
In Ch Ikey
PEGSMXNXCHMFEB-QGMBQPNBSA-N
Tcm Name
云南割舌树
Tcm Name2
YUN NAN GE SHE SHU
Mol2 Path
/TCM_database/2007_3d_all/22631.mol2
Reference
2144
Num Hdonors
2
Tcm Name En
Yunnan Cuttongue tree
Drug Likeness
0.515
Num Hacceptors
3
Isomeric Smiles
CC1=CC(=CC2=C1OC(CC2)(C)CC/C=C(\C)/CCC3C(=C)CCC(C3(C)C)O)O
Canonical Smiles
CC1=CC(=CC2=C1OC(CC2)(C)CCC=C(C)CCC3C(=C)CCC(C3(C)C)O)O
Molecular Formula
C27H40O3
Num Rotatable Bonds
6