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
- 30484
- Core Entity Id
- 37070
- Source Entity Count
- 1
- Preferred Name
- Porellapinguisanolide
- Name En
- Pubchem Id
- 14563790
- Smiles Canonical
- CC1C(CC2(C1(C3OC(=O)C(C2C)(O3)CC=O)C)C)O
- Molecular Formula
- C15H22O5
- Molecular Weight
- 282.3360
- Inchikey
- YZAVUVDOBXZQNS-JLPLLFGXSA-N
- Inchi
- InChI=1S/C15H22O5/c1-8-10(17)7-13(3)9(2)15(5-6-16)11(18)19-12(20-15)14(8,13)4/h6,8-10,12,17H,5,7H2,1-4H3/t8-,9+,10+,12-,13+,14-,15+/m1/s1
- Isomeric Smiles
- C[C@@H]1[C@H](C[C@@]2([C@]1([C@@H]3OC(=O)[C@]([C@H]2C)(O3)CC=O)C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.2767
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Porellapinguisanolide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Porellapinguisanolide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Porellapinguisanolide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Porellapinguisanolide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
叶苔
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YE TAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
叶苔YE TAI
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040565
Npass
NPC227431
Tcmid
17707
Pub Chem
14563790
Tcmbank
TCMBANKIN043153
Etcm Ingredient
Porellapinguisanolide
Itcmdb Generated
ITX-INGREDIENT-BCA78270E0F6
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H22O5/c1-8-10(17)7-13(3)9(2)15(5-6-16)11(18)19-12(20-15)14(8,13)4/h6,8-10,12,17H,5,7H2,1-4H3/t8-,9+,10+,12-,13+,14-,15+/m1/s1
Mol Wt
282.336
Mol Log P
1.2767
In Ch Ikey
YZAVUVDOBXZQNS-JLPLLFGXSA-N
Tcm Name
叶苔
Tcm Name2
YE TAI
Mol2 Path
/TCM_database/2007_3d_all/17721.mol2
Reference
3909
Num Hdonors
1
Drug Likeness
0.61
Num Hacceptors
5
Isomeric Smiles
C[C@@H]1[C@H](C[C@@]2([C@]1([C@@H]3OC(=O)[C@]([C@H]2C)(O3)CC=O)C)C)O
Canonical Smiles
CC1C(CC2(C1(C3OC(=O)C(C2C)(O3)CC=O)C)C)O
Molecular Weight
282.150
Molecular Weight
282.33 g/mol
Molecular Formula
C15H22O5
Molecular Formula
C15H22O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.273
Quantitative Estimate Of Drug Likeness（Qed）
0.610