Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16499
- Core Entity Id
- 21509
- Source Entity Count
- 1
- Preferred Name
- Dehydropinguisenol
- Name En
- Pubchem Id
- 12050458
- Smiles Canonical
- CC1CCC2(C1(C(C3=C(C2=C)C=CO3)O)C)C
- Molecular Formula
- C15H20O2
- Molecular Weight
- 232.3230
- Inchikey
- NKYAXZRYVXNYFH-ZAOWEBSESA-N
- Inchi
- InChI=1S/C15H20O2/c1-9-5-7-14(3)10(2)11-6-8-17-12(11)13(16)15(9,14)4/h6,8-9,13,16H,2,5,7H2,1,3-4H3/t9-,13-,14+,15-/m1/s1
- Isomeric Smiles
- C[C@@H]1CC[C@@]2([C@]1([C@@H](C3=C(C2=C)C=CO3)O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.7823
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dehydropinguisenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dehydropinguisenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dehydropinguisenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dehydropinguisenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
叶苔
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YE TAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
(4aS,7R,7aS,8S)-4a,7,7a-trimethyl-4-methylidene-5,6,7,8-tetrahydrocyclopenta[f][1]benzofuran-8-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(4aS,7R,7aS,8S)-4a,7,7a-trimethyl-4-methylidene-5,6,7,8-tetrahydrocyclopenta[f][1]benzofuran-8-ol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
叶苔YE TAI(4aS,7R,7aS,8S)-4a,7,7a-trimethyl-4-methylidene-5,6,7,8-tetrahydrocyclopenta[f][1]benzofuran-8-ol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023071
Npass
NPC186353
Tcmid
4959
Pub Chem
12050458
Tcmbank
TCMBANKIN041368
Etcm Ingredient
Dehydropinguisenol
Itcmdb Generated
ITX-INGREDIENT-6FE01A59C337
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O2/c1-9-5-7-14(3)10(2)11-6-8-17-12(11)13(16)15(9,14)4/h6,8-9,13,16H,2,5,7H2,1,3-4H3/t9-,13-,14+,15-/m1/s1
Mol Wt
232.323
Mol Log P
3.782300000000003
In Ch Ikey
NKYAXZRYVXNYFH-ZAOWEBSESA-N
Tcm Name
叶苔
Tcm Name2
YE TAI
Mol2 Path
/TCM_database/2007_3d_all/04960.mol2
Reference
3909
Num Hdonors
1
Drug Likeness
0.738
Num Hacceptors
2
Isomeric Smiles
C[C@@H]1CC[C@@]2([C@]1([C@@H](C3=C(C2=C)C=CO3)O)C)C
Canonical Smiles
CC1CCC2(C1(C(C3=C(C2=C)C=CO3)O)C)C
Herb Alias Names
(4aS,7R,7aS,8S)-4a,7,7a-trimethyl-4-methylidene-5,6,7,8-tetrahydrocyclopenta[f][1]benzofuran-8-ol
Molecular Weight
232.150
Molecular Weight
232.32 g/mol
Molecular Formula
C15H20O2
Molecular Formula
C15H20O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.819
Quantitative Estimate Of Drug Likeness（Qed）
0.738