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
- 24294
- Core Entity Id
- 30189
- Source Entity Count
- 1
- Preferred Name
- Laxiflorin b
- Name En
- Pubchem Id
- 101920251
- Smiles Canonical
- CC1(C=CC(=O)C2(C1CO)COC(=O)C34C2CCC(C3)C(=C)C4=O)C
- Molecular Formula
- C20H24O5
- Molecular Weight
- 344.4070
- Inchikey
- ZJDNVMACHSNZNN-QUUXKOAQSA-N
- Inchi
- InChI=1S/C20H24O5/c1-11-12-4-5-13-19(8-12,16(11)23)17(24)25-10-20(13)14(9-21)18(2,3)7-6-15(20)22/h6-7,12-14,21H,1,4-5,8-10H2,2-3H3/t12-,13-,14-,19+,20+/m1/s1
- Isomeric Smiles
- CC1(C=CC(=O)[C@@]2([C@@H]1CO)COC(=O)[C@]34[C@H]2CC[C@H](C3)C(=C)C4=O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.8448
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Laxiflorin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Laxiflorin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Laxiflorin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
疏花毛萼香茶菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHU HUA MAO E XIANG CHA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Laxflower Hairysepal Rabdosia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
CS-0900723
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0900723
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-156393
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-156393
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
疏花毛萼香茶菜SHU HUA MAO E XIANG CHA CAILaxflower Hairysepal RabdosiaCS-0900723HY-156393
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032780
Npass
NPC23873
Tcmid
12579
Pub Chem
101920251
Tcmbank
TCMBANKIN038715
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H24O5/c1-11-12-4-5-13-19(8-12,16(11)23)17(24)25-10-20(13)14(9-21)18(2,3)7-6-15(20)22/h6-7,12-14,21H,1,4-5,8-10H2,2-3H3/t12-,13-,14-,19+,20+/m1/s1
Mol Wt
344.4070000000002
Mol Log P
1.8448
In Ch Ikey
ZJDNVMACHSNZNN-QUUXKOAQSA-N
Tcm Name
疏花毛萼香茶菜
Tcm Name2
SHU HUA MAO E XIANG CHA CAI
Mol2 Path
/TCM_database/2007_3d_all/12584.mol2
Reference
4067
Num Hdonors
1
Tcm Name En
Laxflower Hairysepal Rabdosia
Drug Likeness
0.446
Num Hacceptors
5
Isomeric Smiles
CC1(C=CC(=O)[C@@]2([C@@H]1CO)COC(=O)[C@]34[C@H]2CC[C@H](C3)C(=C)C4=O)C
Canonical Smiles
CC1(C=CC(=O)C2(C1CO)COC(=O)C34C2CCC(C3)C(=C)C4=O)C
Herb Alias Names
HY-156393CS-0900723
Molecular Weight
344.4 g/mol
Molecular Formula
C20H24O5
Num Rotatable Bonds
1