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
- 19483
- Core Entity Id
- 24837
- Source Entity Count
- 1
- Preferred Name
- Fumotoshidin b
- Name En
- Pubchem Id
- 5317421
- Smiles Canonical
- CC1(C2CC=C3CC(CCC3C2(CC(=O)C1O)C)(C)C(CO)O)C
- Molecular Formula
- C20H32O4
- Molecular Weight
- 336.4720
- Inchikey
- IJIWEBRZAZWLRR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H32O4/c1-18(2)15-6-5-12-9-19(3,16(23)11-21)8-7-13(12)20(15,4)10-14(22)17(18)24/h5,13,15-17,21,23-24H,6-11H2,1-4H3
- Isomeric Smiles
- CC1(C2CC=C3CC(CCC3C2(CC(=O)C1O)C)(C)C(CO)O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.4585
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6770
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Fumotoshidin B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Fumotoshidin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Fumotoshidin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
fumotoshidin b
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026832
Npass
NPC112946
Tcmid
7999
Pub Chem
5317421
Tcmbank
TCMBANKIN049421
Etcm Ingredient
Fumotoshidin B
Itcmdb Generated
ITX-INGREDIENT-3AD76A259C5D
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H32O4/c1-18(2)15-6-5-12-9-19(3,16(23)11-21)8-7-13(12)20(15,4)10-14(22)17(18)24/h5,13,15-17,21,23-24H,6-11H2,1-4H3
Mol Wt
336.4720000000001
Smiles
CC1(C2CC=C3CC(CCC3C2(CC(=O)C1O)C)(C)C(CO)O)C
Mol Log P
2.458500000000001
In Ch Ikey
IJIWEBRZAZWLRR-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2003_3d_all/3167.mol2
Reference
1538
Num Hdonors
3
Drug Likeness
0.677
Num Hacceptors
4
Isomeric Smiles
CC1(C2CC=C3CC(CCC3C2(CC(=O)C1O)C)(C)C(CO)O)C
Canonical Smiles
CC1(C2CC=C3CC(CCC3C2(CC(=O)C1O)C)(C)C(CO)O)C
Molecular Weight
336.230
Molecular Formula
C20H32O4
Molecular Formula
C20H32O4
Molecular Formula
C20H32O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.841
Quantitative Estimate Of Drug Likeness（Qed）
0.677