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
- 24227
- Core Entity Id
- 30115
- Source Entity Count
- 1
- Preferred Name
- Lasiocarpanin
- Name En
- Pubchem Id
- 102382575
- Smiles Canonical
- CC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)CO
- Molecular Formula
- C20H28O6
- Molecular Weight
- 364.4380
- Inchikey
- HSNHHKCWUXSXSA-NNCBBUSBSA-N
- Inchi
- InChI=1S/C20H28O6/c1-10-11-4-5-12-18-7-3-6-17(2,8-21)13(18)16(24)20(25,26-9-18)19(12,14(10)22)15(11)23/h11-13,15-16,21,23-25H,1,3-9H2,2H3/t11-,12-,13+,15+,16-,17+,18+,19-,20+/m0/s1
- Isomeric Smiles
- C[C@@]1(CCC[C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H]([C@H]4O)C(=C)C5=O)(OC3)O)O)CO
- Cas Id
- Ob Score
- Mol Logp
- 0.3772
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lasiocarpanin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lasiocarpanin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
lasiocarpanin
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032694
Tcmid
12529
Tcm Id
2026520266
Pub Chem
102382575
Tcmbank
TCMBANKIN044918
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28O6/c1-10-11-4-5-12-18-7-3-6-17(2,8-21)13(18)16(24)20(25,26-9-18)19(12,14(10)22)15(11)23/h11-13,15-16,21,23-25H,1,3-9H2,2H3/t11-,12-,13+,15+,16-,17+,18+,19-,20+/m0/s1
Mol Wt
364.4380000000001
Smiles
CC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)CO
Mol Log P
0.3771999999999998
In Ch Ikey
HSNHHKCWUXSXSA-NNCBBUSBSA-N
Mol2 Path
/TCM_database/2007_3d_all/12534.mol2
Reference
4067
Num Hdonors
4
Drug Likeness
0.501
Num Hacceptors
6
Isomeric Smiles
C[C@@]1(CCC[C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H]([C@H]4O)C(=C)C5=O)(OC3)O)O)CO
Canonical Smiles
CC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)CO
Molecular Weight
0
Molecular Formula
C20H28O6
Molecular Formula
C20H28O6
Num Rotatable Bonds
1