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
- 24684
- Core Entity Id
- 30630
- Source Entity Count
- 1
- Preferred Name
- Lindenanolide h
- Name En
- Pubchem Id
- 497201
- Smiles Canonical
- CC1=C2C(CC3(C4CC4C(=C)C3C2OC(=O)C)C)OC1=O
- Molecular Formula
- C17H20O4
- Molecular Weight
- 288.3430
- Inchikey
- ZCXZCIHPPHXGFL-VNQBEFROSA-N
- Inchi
- InChI=1S/C17H20O4/c1-7-10-5-11(10)17(4)6-12-13(8(2)16(19)21-12)15(14(7)17)20-9(3)18/h10-12,14-15H,1,5-6H2,2-4H3/t10-,11-,12+,14-,15+,17+/m1/s1
- Isomeric Smiles
- CC1=C2[C@H](C[C@]3([C@@H]4C[C@@H]4C(=C)[C@@H]3[C@H]2OC(=O)C)C)OC1=O
- Cas Id
- Ob Score
- Mol Logp
- 2.3921
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lindenanolide H
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lindenanolide h
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lindenanolide h
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
lindenanolide h
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cycloprop[2,3]indeno[5,6-b]furan-2(4H)-one, 4-(acetyloxy)-4a,5,5a,6,6a,6b,7,7a-octahydro-3,6b-dimethyl-5-methylene-, (4R,4aS,5aS,6aR,6bS,7aS)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cycloprop[2,3]indeno[5,6-b]furan-2(4H)-one, 4-(acetyloxy)-4a,5,5a,6,6a,6b,7,7a-octahydro-3,6b-dimethyl-5-methylene-, (4R,4aS,5aS,6aR,6bS,7aS)-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Cycloprop[2,3]indeno[5,6-b]furan-2(4H)-one, 4-(acetyloxy)-4a,5,5a,6,6a,6b,7,7a-octahydro-3,6b-dimethyl-5-methylene-, (4R,4aS,5aS,6aR,6bS,7aS)-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033299
Npass
NPC106855
Tcmid
12859
Pub Chem
497201
Tcmbank
TCMBANKIN048357
Etcm Ingredient
Lindenanolide H
Itcmdb Generated
ITX-INGREDIENT-59C93462CF17
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H20O4/c1-7-10-5-11(10)17(4)6-12-13(8(2)16(19)21-12)15(14(7)17)20-9(3)18/h10-12,14-15H,1,5-6H2,2-4H3/t10-,11-,12+,14-,15+,17+/m1/s1
Mol Wt
288.343
Smiles
CC1=C2C(CC3(C4CC4C(=C)C3C2OC(=O)C)C)OC1=O
Mol Log P
2.3921
In Ch Ikey
ZCXZCIHPPHXGFL-VNQBEFROSA-N
Mol2 Path
/TCM_database/2007_3d_all/12865.mol2
Reference
4224
Num Hdonors
0
Drug Likeness
0.549
Num Hacceptors
4
Isomeric Smiles
CC1=C2[C@H](C[C@]3([C@@H]4C[C@@H]4C(=C)[C@@H]3[C@H]2OC(=O)C)C)OC1=O
Canonical Smiles
CC1=C2C(CC3(C4CC4C(=C)C3C2OC(=O)C)C)OC1=O
Herb Alias Names
Cycloprop[2,3]indeno[5,6-b]furan-2(4H)-one, 4-(acetyloxy)-4a,5,5a,6,6a,6b,7,7a-octahydro-3,6b-dimethyl-5-methylene-, (4R,4aS,5aS,6aR,6bS,7aS)-
Molecular Weight
288.140
Molecular Weight
288.34 g/mol
Molecular Formula
C17H20O4
Molecular Formula
C17H20O4
Molecular Formula
C17H20O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.181
Quantitative Estimate Of Drug Likeness（Qed）
0.636